P801
| Id | 801 |
| Inchikey | DYUYMACNAFSKCY-AWEZNQCLSA-N |
| Smiles | O=C(CCC(=O)c1ccc[nH]1)O[C@@H](c1cccnc1)C(F)(F)F |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.912804 |
| Binding_energy | -43.309367 |
| Ligand_energy | 27.096311580952104 |
| Placement | Placement_802 "DNV2_NS5A-x0472 w/ C802" |