P431
| Id | 431 |
| Inchikey | IFDYFVJPLPTESE-NSHDSACASA-N |
| Smiles | O=C1CC(CC(=O)N2CCC[C@H](c3ccn[nH]3)C2)CC(=O)N1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.723414 |
| Binding_energy | -46.96181 |
| Ligand_energy | 29.61477565156877 |
| Placement | Placement_431 "DNV2_NS5A-x0851 w/ C430" |