2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3h)-one (NNF) Summary
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- 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3h)-one (NNF) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | CAA.1-CAO.15-NAM.13-CAR.1817-12-14-0 CAA.18-CAO.13-NAM.15-CAR.1 | 179.215 | Rigid |
| 2 | OAB.2-CAS.19-NAN.14-CAR.1817-13-18-1 OAB.18-CAS.14-NAN.19-CAR.2 | -177.803 | Rigid |
| 3 | FAC.3-CAP.16-CAD.4-CAF.65-3-15-2 FAC.6-CAP.4-CAD.16-CAF.3 | 178.172 | Rigid |
| 4 | FAC.3-CAP.16-CAE.5-CAG.76-4-15-2 FAC.7-CAP.5-CAE.16-CAG.3 | -178.778 | Rigid |
| 5 | CAD.4-CAF.6-CAQ.17-CAG.76-16-5-3 CAD.7-CAF.17-CAQ.6-CAG.4 | -1.591 | Rigid Ring |
| 6 | CAD.4-CAF.6-CAQ.17-NAT.2019-16-5-3 CAD.20-CAF.17-CAQ.6-NAT.4 | -179.243 | Rigid |
| 7 | CAD.4-CAP.16-CAE.5-CAG.76-4-15-3 CAD.7-CAP.5-CAE.16-CAG.4 | 1.099 | Rigid Ring |
| 8 | CAE.5-CAG.7-CAQ.17-CAF.65-16-6-4 CAE.6-CAG.17-CAQ.7-CAF.5 | 0.958 | Rigid Ring |
| 9 | CAE.5-CAG.7-CAQ.17-NAT.2019-16-6-4 CAE.20-CAG.17-CAQ.7-NAT.5 | 178.481 | Rigid |
| 10 | CAE.5-CAP.16-CAD.4-CAF.65-3-15-4 CAE.6-CAP.4-CAD.16-CAF.5 | -1.708 | Rigid Ring |
| 11 | CAF.6-CAQ.17-NAT.20-CAI.98-19-16-5 CAF.9-CAQ.20-NAT.17-CAI.6 | -38.903 | Flexible |
| 12 | CAF.6-CAQ.17-NAT.20-CAJ.109-19-16-5 CAF.10-CAQ.20-NAT.17-CAJ.6 | 130.393 | Flexible |
| 13 | CAG.7-CAQ.17-NAT.20-CAI.98-19-16-6 CAG.9-CAQ.20-NAT.17-CAI.7 | 143.549 | Flexible |
| 14 | CAG.7-CAQ.17-NAT.20-CAJ.109-19-16-6 CAG.10-CAQ.20-NAT.17-CAJ.7 | -47.155 | Flexible |
| 15 | CAI.9-CAK.11-NAU.21-CAL.1211-20-10-8 CAI.12-CAK.21-NAU.11-CAL.9 | 19.435 | Flexible Ring |
| 16 | CAI.9-CAK.11-NAU.21-CAR.1817-20-10-8 CAI.18-CAK.21-NAU.11-CAR.9 | -158.458 | Flexible |
| 17 | CAI.9-NAT.20-CAJ.10-CAL.1211-9-19-8 CAI.12-NAT.10-CAJ.20-CAL.9 | -2.07 | Flexible Ring |
| 18 | CAJ.10-CAL.12-NAU.21-CAK.1110-20-11-9 CAJ.11-CAL.21-NAU.12-CAK.10 | 18.579 | Flexible Ring |
| 19 | CAJ.10-CAL.12-NAU.21-CAR.1817-20-11-9 CAJ.18-CAL.21-NAU.12-CAR.10 | -163.559 | Flexible |
| 20 | CAJ.10-NAT.20-CAI.9-CAK.1110-8-19-9 CAJ.11-NAT.9-CAI.20-CAK.10 | 39.582 | Flexible Ring |
| 21 | CAK.11-CAI.9-NAT.20-CAQ.1716-19-8-10 CAK.17-CAI.20-NAT.9-CAQ.11 | -151.848 | Flexible |
| 22 | CAK.11-NAU.21-CAR.18-NAM.1312-17-20-10 CAK.13-NAU.18-CAR.21-NAM.11 | 10.396 | Flexible |
| 23 | CAK.11-NAU.21-CAR.18-NAN.1413-17-20-10 CAK.14-NAU.18-CAR.21-NAN.11 | -173.564 | Flexible |
| 24 | CAL.12-CAJ.10-NAT.20-CAQ.1716-19-9-11 CAL.17-CAJ.20-NAT.10-CAQ.12 | -170.586 | Flexible |
| 25 | CAL.12-NAU.21-CAR.18-NAM.1312-17-20-11 CAL.13-NAU.18-CAR.21-NAM.12 | -167.626 | Flexible |
| 26 | CAL.12-NAU.21-CAR.18-NAN.1413-17-20-11 CAL.14-NAU.18-CAR.21-NAN.12 | 8.414 | Flexible |
| 27 | NAM.13-CAR.18-NAN.14-CAS.1918-13-17-12 NAM.19-CAR.14-NAN.18-CAS.13 | -3.217 | Rigid Ring |
| 28 | NAN.14-CAR.18-NAM.13-CAO.1514-12-17-13 NAN.15-CAR.13-NAM.18-CAO.14 | 3.523 | Rigid Ring |
| 29 | CAO.15-NAM.13-CAR.18-NAU.2120-17-12-14 CAO.21-NAM.18-CAR.13-NAU.15 | 179.602 | Rigid |
| 30 | CAP.16-CAD.4-CAF.6-CAQ.1716-5-3-15 CAP.17-CAD.6-CAF.4-CAQ.16 | 1.993 | Rigid Ring |
| 31 | CAP.16-CAE.5-CAG.7-CAQ.1716-6-4-15 CAP.17-CAE.7-CAG.5-CAQ.16 | -0.736 | Rigid Ring |
| 32 | CAS.19-NAN.14-CAR.18-NAU.2120-17-13-18 CAS.21-NAN.18-CAR.14-NAU.19 | -179.385 | Rigid |
| 33 | NAT.20-CAI.9-CAK.11-NAU.2120-10-8-19 NAT.21-CAI.11-CAK.9-NAU.20 | -45.759 | Flexible Ring |
| 34 | NAT.20-CAJ.10-CAL.12-NAU.2120-11-9-19 NAT.21-CAJ.12-CAL.10-NAU.20 | -26.658 | Flexible Ring |
Dihedrals Histogram