[(3s)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid (2YB) Summary
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- [(3s)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid (2YB) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C4.1-C13.6-C14.22-C15.76-21-5-0 C4.7-C13.22-C14.6-C15.1 | -179.065 | Rigid |
| 2 | C4.1-C13.6-C14.22-C16.2322-21-5-0 C4.23-C13.22-C14.6-C16.1 | -1.206 | Rigid Ring |
| 3 | C4.1-C3.17-C2.16-C1.1514-15-16-0 C4.15-C3.16-C2.17-C1.1 | -179.36 | Rigid |
| 4 | C4.1-C3.17-C2.16-C16.2322-15-16-0 C4.23-C3.16-C2.17-C16.1 | -1.617 | Rigid Ring |
| 5 | C4.1-O5.18-C6.2-C7.32-1-17-0 C4.3-O5.2-C6.18-C7.1 | 169.746 | Flexible |
| 6 | C6.2-C7.3-C8.4-S9.1918-3-2-1 C6.19-C7.4-C8.3-S9.2 | -168.409 | Flexible |
| 7 | C7.3-C8.4-S9.19-C10.54-18-3-2 C7.5-C8.19-S9.4-C10.3 | -52.493 | Flexible |
| 8 | C7.3-C8.4-S9.19-O11.2019-18-3-2 C7.20-C8.19-S9.4-O11.3 | 62.101 | Flexible |
| 9 | C7.3-C8.4-S9.19-O12.2120-18-3-2 C7.21-C8.19-S9.4-O12.3 | -166.08 | Flexible |
| 10 | C8.4-C7.3-C6.2-O5.1817-1-2-3 C8.18-C7.2-C6.3-O5.4 | 66.55 | Flexible |
| 11 | C13.6-C4.1-C3.17-C2.1615-16-0-5 C13.16-C4.17-C3.1-C2.6 | 1.259 | Rigid Ring |
| 12 | C13.6-C4.1-O5.18-C6.21-17-0-5 C13.2-C4.18-O5.1-C6.6 | -168.567 | Flexible |
| 13 | C13.6-C14.22-C16.23-C17.87-22-21-5 C13.8-C14.23-C16.22-C17.6 | 179.842 | Rigid |
| 14 | C13.6-C14.22-C16.23-C2.1615-22-21-5 C13.16-C14.23-C16.22-C2.6 | 0.832 | Rigid Ring |
| 15 | C15.7-C14.22-C16.23-C17.87-22-21-6 C15.8-C14.23-C16.22-C17.7 | -2.39 | Rigid |
| 16 | C15.7-C14.22-C16.23-C2.1615-22-21-6 C15.16-C14.23-C16.22-C2.7 | 178.601 | Rigid |
| 17 | C17.8-C16.23-C2.16-C1.1514-15-22-7 C17.15-C16.16-C2.23-C1.8 | -0.797 | Rigid |
| 18 | C17.8-C16.23-C2.16-C3.1716-15-22-7 C17.17-C16.16-C2.23-C3.8 | -178.462 | Rigid |
| 19 | C17.8-C18.24-C19.25-C20.98-24-23-7 C17.9-C18.25-C19.24-C20.8 | -0.531 | Rigid Ring |
| 20 | C17.8-C38.37-C21.10-C20.98-9-36-7 C17.9-C38.10-C21.37-C20.8 | -1.741 | Rigid Ring |
| 21 | C17.8-C38.37-C21.10-C22.1110-9-36-7 C17.11-C38.10-C21.37-C22.8 | 179.451 | Rigid |
| 22 | C20.9-C21.10-C22.11-O23.2625-10-9-8 C20.26-C21.11-C22.10-O23.9 | -86.452 | Flexible |
| 23 | C21.10-C20.9-C19.25-C18.2423-24-8-9 C21.24-C20.25-C19.9-C18.10 | -0.351 | Rigid Ring |
| 24 | C21.10-C22.11-O23.26-C24.1211-25-10-9 C21.12-C22.26-O23.11-C24.10 | 176.23 | Flexible |
| 25 | C21.10-C38.37-C17.8-C16.2322-7-36-9 C21.23-C38.8-C17.37-C16.10 | -179.128 | Rigid |
| 26 | C21.10-C38.37-C17.8-C18.2423-7-36-9 C21.24-C38.8-C17.37-C18.10 | 0.879 | Rigid Ring |
| 27 | C22.11-C21.10-C20.9-C19.2524-8-9-10 C22.25-C21.9-C20.10-C19.11 | -179.732 | Rigid |
| 28 | C22.11-O23.26-C24.12-C25.2726-11-25-10 C22.27-O23.12-C24.26-C25.11 | 10.548 | Flexible |
| 29 | C22.11-O23.26-C24.12-C37.3635-11-25-10 C22.36-O23.12-C24.26-C37.11 | -169.961 | Flexible |
| 30 | C24.12-C25.27-C26.13-C27.2827-12-26-11 C24.28-C25.13-C26.27-C27.12 | -0.044 | Rigid Ring |
| 31 | C24.12-C37.36-C36.35-C27.2827-34-35-11 C24.28-C37.35-C36.36-C27.12 | -0.056 | Rigid Ring |
| 32 | C24.12-C37.36-C36.35-O35.3433-34-35-11 C24.34-C37.35-C36.36-O35.12 | -179.345 | Rigid Ring |
| 33 | C26.13-C25.27-C24.12-O23.2625-11-26-12 C26.26-C25.12-C24.27-O23.13 | -179.528 | Rigid |
| 34 | C26.13-C25.27-C24.12-C37.3635-11-26-12 C26.36-C25.12-C24.27-C37.13 | 1.004 | Rigid Ring |
| 35 | C26.13-C27.28-C28.14-C30.2928-13-27-12 C26.29-C27.14-C28.28-C30.13 | -62.409 | Rigid |
| 36 | C26.13-C27.28-C28.14-C34.3332-13-27-12 C26.33-C27.14-C28.28-C34.13 | 176.998 | Rigid Ring |
| 37 | C26.13-C27.28-C36.35-O35.3433-34-27-12 C26.34-C27.35-C36.28-O35.13 | -179.614 | Rigid Ring |
| 38 | C26.13-C27.28-C36.35-C37.3635-34-27-12 C26.36-C27.35-C36.28-C37.13 | 1.034 | Rigid Ring |
| 39 | C28.14-C27.28-C26.13-C25.2726-12-27-13 C28.27-C27.13-C26.28-C25.14 | 179.02 | Rigid Ring |
| 40 | C28.14-C27.28-C36.35-O35.3433-34-27-13 C28.34-C27.35-C36.28-O35.14 | 0.399 | Rigid Ring |
| 41 | C28.14-C27.28-C36.35-C37.3635-34-27-13 C28.36-C27.35-C36.28-C37.14 | -178.953 | Rigid Ring |
| 42 | C28.14-C30.29-C31.30-O32.3130-29-28-13 C28.31-C30.30-C31.29-O32.14 | 1.814 | Flexible |
| 43 | C28.14-C30.29-C31.30-O33.3231-29-28-13 C28.32-C30.30-C31.29-O33.14 | -178.23 | Flexible |
| 44 | C28.14-C34.33-O35.34-C36.3534-33-32-13 C28.35-C34.34-O35.33-C36.14 | -4.604 | Rigid Ring |
| 45 | C1.15-C2.16-C16.23-C14.2221-22-15-14 C1.22-C2.23-C16.16-C14.15 | 178.214 | Rigid |
| 46 | C2.16-C16.23-C17.8-C18.2423-7-22-15 C2.24-C16.8-C17.23-C18.16 | -100.649 | Flexible |
| 47 | C2.16-C16.23-C17.8-C38.3736-7-22-15 C2.37-C16.8-C17.23-C38.16 | 79.358 | Flexible |
| 48 | C3.17-C4.1-C13.6-C14.2221-5-0-16 C3.22-C4.6-C13.1-C14.17 | 0.156 | Rigid Ring |
| 49 | C3.17-C4.1-O5.18-C6.21-17-0-16 C3.2-C4.18-O5.1-C6.17 | 12.071 | Flexible |
| 50 | C3.17-C2.16-C16.23-C14.2221-22-15-16 C3.22-C2.23-C16.16-C14.17 | 0.549 | Rigid Ring |
| 51 | O5.18-C4.1-C13.6-C14.2221-5-0-17 O5.22-C4.6-C13.1-C14.18 | -179.251 | Rigid |
| 52 | O5.18-C4.1-C3.17-C2.1615-16-0-17 O5.16-C4.17-C3.1-C2.18 | -179.406 | Rigid |
| 53 | C14.22-C16.23-C17.8-C18.2423-7-22-21 C14.24-C16.8-C17.23-C18.22 | 80.36 | Flexible |
| 54 | C14.22-C16.23-C17.8-C38.3736-7-22-21 C14.37-C16.8-C17.23-C38.22 | -99.634 | Flexible |
| 55 | C16.23-C17.8-C18.24-C19.2524-23-7-22 C16.25-C17.24-C18.8-C19.23 | -179.724 | Rigid |
| 56 | C19.25-C20.9-C21.10-C38.3736-9-8-24 C19.37-C20.10-C21.9-C38.25 | 1.466 | Rigid Ring |
| 57 | C19.25-C18.24-C17.8-C38.3736-7-23-24 C19.37-C18.8-C17.24-C38.25 | 0.27 | Rigid Ring |
| 58 | O23.26-C22.11-C21.10-C38.3736-9-10-25 O23.37-C22.10-C21.11-C38.26 | 92.335 | Flexible |
| 59 | O23.26-C24.12-C37.36-C36.3534-35-11-25 O23.35-C24.36-C37.12-C36.26 | 179.531 | Rigid |
| 60 | C25.27-C24.12-C37.36-C36.3534-35-11-26 C25.35-C24.36-C37.12-C36.27 | -0.946 | Rigid Ring |
| 61 | C25.27-C26.13-C27.28-C36.3534-27-12-26 C25.35-C26.28-C27.13-C36.27 | -0.964 | Rigid Ring |
| 62 | C27.28-C28.14-C30.29-C31.3029-28-13-27 C27.30-C28.29-C30.14-C31.28 | 178.004 | Flexible |
| 63 | C27.28-C28.14-C34.33-O35.3433-32-13-27 C27.34-C28.33-C34.14-O35.28 | 4.626 | Rigid Ring |
| 64 | C27.28-C36.35-O35.34-C34.3332-33-34-27 C27.33-C36.34-O35.35-C34.28 | 2.645 | Rigid Ring |
| 65 | C30.29-C28.14-C27.28-C36.3534-27-13-28 C30.35-C28.28-C27.14-C36.29 | 117.576 | Rigid |
| 66 | C30.29-C28.14-C34.33-O35.3433-32-13-28 C30.34-C28.33-C34.14-O35.29 | -115.583 | Flexible |
| 67 | C31.30-C30.29-C28.14-C34.3332-13-28-29 C31.33-C30.14-C28.29-C34.30 | -69.549 | Flexible |
| 68 | C34.33-C28.14-C27.28-C36.3534-27-13-32 C34.35-C28.28-C27.14-C36.33 | -3.017 | Rigid Ring |
| 69 | C34.33-O35.34-C36.35-C37.3635-34-33-32 C34.36-O35.35-C36.34-C37.33 | -178.019 | Rigid Ring |
Dihedrals Histogram