P774
| Id | 774 |
| Inchikey | DXWJLJGPVSIGQY-UHFFFAOYSA-N |
| Smiles | CNc1ccnc(NCc2cncs2)c1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 1.71992 |
| Binding_energy | -88.304395 |
| Ligand_energy | 17.94588538888184 |
| Placement | Placement_775 "DNV2_NS5A-x0472 w/ C775" |