P753
| Id | 753 |
| Inchikey | HTZVXKPYUGQGKR-UHFFFAOYSA-N |
| Smiles | N#Cc1ccc(OCCNC(=O)CCc2nccs2)nc1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 1.542092 |
| Binding_energy | -61.850228 |
| Ligand_energy | 48.98036722888393 |
| Placement | Placement_754 "DNV2_NS5A-x0472 w/ C754" |