4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile (MQ0) Summary
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- 4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile (MQ0) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.2-C3.3-C4.43-2-1-0 C1.4-C2.3-C3.2-C4.1 | -1.241 | Rigid Ring |
| 2 | C1.1-C10.10-C5.5-C4.43-4-9-0 C1.4-C10.5-C5.10-C4.1 | 1.022 | Rigid Ring |
| 3 | C1.1-C10.10-C5.5-N6.65-4-9-0 C1.6-C10.5-C5.10-N6.1 | -178.375 | Rigid Ring |
| 4 | C1.1-C10.10-C9.9-C8.87-8-9-0 C1.8-C10.9-C9.10-C8.1 | 179.633 | Rigid Ring |
| 5 | C1.1-C10.10-C9.9-N11.1110-8-9-0 C1.11-C10.9-C9.10-N11.1 | -0.349 | Rigid |
| 6 | C2.2-C1.1-C10.10-C5.54-9-0-1 C2.5-C1.10-C10.1-C5.2 | -0.962 | Rigid Ring |
| 7 | C2.2-C1.1-C10.10-C9.98-9-0-1 C2.9-C1.10-C10.1-C9.2 | -178.673 | Rigid Ring |
| 8 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | 1.288 | Rigid Ring |
| 9 | C3.3-C4.4-C5.5-N6.65-4-3-2 C3.6-C4.5-C5.4-N6.3 | 178.21 | Rigid Ring |
| 10 | C3.3-C4.4-C5.5-C10.109-4-3-2 C3.10-C4.5-C5.4-C10.3 | -1.198 | Rigid Ring |
| 11 | C4.4-C5.5-N6.6-N7.76-5-4-3 C4.7-C5.6-N6.5-N7.4 | 178.713 | Rigid Ring |
| 12 | C4.4-C5.5-C10.10-C9.98-9-4-3 C4.9-C5.10-C10.5-C9.4 | 178.825 | Rigid Ring |
| 13 | C5.5-N6.6-N7.7-C8.87-6-5-4 C5.8-N6.7-N7.6-C8.5 | 2.889 | Rigid Ring |
| 14 | C5.5-C10.10-C9.9-C8.87-8-9-4 C5.8-C10.9-C9.10-C8.5 | 1.934 | Rigid Ring |
| 15 | C5.5-C10.10-C9.9-N11.1110-8-9-4 C5.11-C10.9-C9.10-N11.5 | -178.048 | Rigid |
| 16 | N6.6-C5.5-C10.10-C9.98-9-4-5 N6.9-C5.10-C10.5-C9.6 | -0.572 | Rigid Ring |
| 17 | N6.6-N7.7-C8.8-C9.98-7-6-5 N6.9-N7.8-C8.7-C9.6 | -1.37 | Rigid Ring |
| 18 | N6.6-N7.7-C8.8-C20.1918-7-6-5 N6.19-N7.8-C8.7-C20.6 | 178.398 | Rigid |
| 19 | N7.7-N6.6-C5.5-C10.109-4-5-6 N7.10-N6.5-C5.6-C10.7 | -1.874 | Rigid Ring |
| 20 | N7.7-C8.8-C9.9-C10.109-8-7-6 N7.10-C8.9-C9.8-C10.7 | -1.036 | Rigid Ring |
| 21 | N7.7-C8.8-C9.9-N11.1110-8-7-6 N7.11-C8.9-C9.8-N11.7 | 178.945 | Rigid |
| 22 | N7.7-C8.8-C20.19-N19.2019-18-7-6 N7.20-C8.19-C20.8-N19.7 | -27.146 | Flexible |
| 23 | C8.8-C9.9-N11.11-C12.1211-10-8-7 C8.12-C9.11-N11.9-C12.8 | -3.951 | Flexible |
| 24 | C9.9-C8.8-C20.19-N19.2019-18-7-8 C9.20-C8.19-C20.8-N19.9 | 152.607 | Flexible |
| 25 | C9.9-N11.11-C12.12-C13.1312-11-10-8 C9.13-N11.12-C12.11-C13.9 | 93.831 | Flexible |
| 26 | C10.10-C1.1-C2.2-C3.32-1-0-9 C10.3-C1.2-C2.1-C3.10 | 1.087 | Rigid Ring |
| 27 | C10.10-C9.9-C8.8-C20.1918-7-8-9 C10.19-C9.8-C8.9-C20.10 | 179.219 | Rigid |
| 28 | C10.10-C9.9-N11.11-C12.1211-10-8-9 C10.12-C9.11-N11.9-C12.10 | 176.03 | Flexible |
| 29 | N11.11-C9.9-C8.8-C20.1918-7-8-10 N11.19-C9.8-C8.9-C20.11 | -0.8 | Rigid |
| 30 | N11.11-C12.12-C13.13-C15.1514-12-11-10 N11.15-C12.13-C13.12-C15.11 | 35.931 | Flexible |
| 31 | C12.12-C13.13-C15.15-C16.1413-14-12-11 C12.14-C13.15-C15.13-C16.12 | 165.403 | Flexible |
| 32 | C12.12-C13.13-C15.15-C23.2322-14-12-11 C12.23-C13.15-C15.13-C23.12 | -72.109 | Flexible |
| 33 | C13.13-C15.15-C16.14-C17.1615-13-14-12 C13.16-C15.14-C16.15-C17.13 | -149.809 | Flexible |
| 34 | C13.13-C15.15-C16.14-C22.2221-13-14-12 C13.22-C15.14-C16.15-C22.13 | 29.879 | Flexible |
| 35 | C13.13-C15.15-C23.23-C24.2423-22-14-12 C13.24-C15.23-C23.15-C24.13 | 122.833 | Flexible |
| 36 | C13.13-C15.15-C23.23-C28.2827-22-14-12 C13.28-C15.23-C23.15-C28.13 | -56.851 | Flexible |
| 37 | C16.14-C15.15-C23.23-C24.2423-22-14-13 C16.24-C15.23-C23.15-C24.14 | -110.466 | Flexible |
| 38 | C16.14-C15.15-C23.23-C28.2827-22-14-13 C16.28-C15.23-C23.15-C28.14 | 69.851 | Flexible |
| 39 | C16.14-C17.16-C18.17-C19.1817-16-15-13 C16.18-C17.17-C18.16-C19.14 | 1.179 | Rigid Ring |
| 40 | C16.14-C22.22-C21.21-C19.1817-20-21-13 C16.18-C22.21-C21.22-C19.14 | 0.541 | Rigid Ring |
| 41 | C15.15-C16.14-C17.16-C18.1716-15-13-14 C15.17-C16.16-C17.14-C18.15 | 179.476 | Rigid |
| 42 | C15.15-C16.14-C22.22-C21.2120-21-13-14 C15.21-C16.22-C22.14-C21.15 | 179.68 | Rigid |
| 43 | C15.15-C23.23-C24.24-C25.2524-23-22-14 C15.25-C23.24-C24.23-C25.15 | 179.638 | Rigid |
| 44 | C15.15-C23.23-C28.28-C27.2726-27-22-14 C15.27-C23.28-C28.23-C27.15 | -179.773 | Rigid |
| 45 | C17.16-C16.14-C15.15-C23.2322-14-13-15 C17.23-C16.15-C15.14-C23.16 | 83.257 | Flexible |
| 46 | C17.16-C16.14-C22.22-C21.2120-21-13-15 C17.21-C16.22-C22.14-C21.16 | -0.634 | Rigid Ring |
| 47 | C17.16-C18.17-C19.18-C21.2120-17-16-15 C17.21-C18.18-C19.17-C21.16 | -1.27 | Rigid Ring |
| 48 | C18.17-C17.16-C16.14-C22.2221-13-15-16 C18.22-C17.14-C16.16-C22.17 | -0.224 | Rigid Ring |
| 49 | C18.17-C19.18-C21.21-C22.2221-20-17-16 C18.22-C19.21-C21.18-C22.17 | 0.423 | Rigid Ring |
| 50 | C22.22-C16.14-C15.15-C23.2322-14-13-21 C22.23-C16.15-C15.14-C23.22 | -97.055 | Flexible |
| 51 | C23.23-C24.24-C25.25-C26.2625-24-23-22 C23.26-C24.25-C25.24-C26.23 | 0.285 | Rigid Ring |
| 52 | C23.23-C28.28-C27.27-C26.2625-26-27-22 C23.26-C28.27-C27.28-C26.23 | -0.025 | Rigid Ring |
| 53 | C24.24-C23.23-C28.28-C27.2726-27-22-23 C24.27-C23.28-C28.23-C27.24 | 0.54 | Rigid Ring |
| 54 | C24.24-C25.25-C26.26-C27.2726-25-24-23 C24.27-C25.26-C26.25-C27.24 | 0.24 | Rigid Ring |
| 55 | C25.25-C24.24-C23.23-C28.2827-22-23-24 C25.28-C24.23-C23.24-C28.25 | -0.671 | Rigid Ring |
| 56 | C25.25-C26.26-C27.27-C28.2827-26-25-24 C25.28-C26.27-C27.26-C28.25 | -0.369 | Rigid Ring |
Dihedrals Histogram