P739
| Id | 739 |
| Inchikey | PKXYYGMIJNAOPA-GFCCVEGCSA-N |
| Smiles | O=C(NC[C@H]1CCCO1)c1ccn(C2CCCC2)n1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.987262 |
| Binding_energy | -20.060613 |
| Ligand_energy | 41.38184371111872 |
| Placement | Placement_740 "DNV2_NS5A-x0254 w/ C740" |