P749
| Id | 749 |
| Inchikey | HGFITXIOQBKAJS-SMNKDYLDSA-N |
| Smiles | [H]N=[S@](C)(=O)c1ccc(N2CC[C@H](c3ccn[nH]3)C2)nc1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.965491 |
| Binding_energy | -12.728477 |
| Ligand_energy | 46.20536670103368 |
| Placement | Placement_750 "DNV2_NS5A-x0160 w/ C750" |