P777
| Id | 777 |
| Inchikey | XGMDJKMAPHHRFH-UHFFFAOYSA-N |
| Smiles | NNc1cc(NCc2cncs2)ccn1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.79138 |
| Binding_energy | -76.769655 |
| Ligand_energy | 18.556105664277176 |
| Placement | Placement_778 "DNV2_NS5A-x0472 w/ C778" |