P799
| Id | 799 |
| Inchikey | NMMXOIPTLDWKIW-CYBMUJFWSA-N |
| Smiles | COC(=O)CCN(Cc1cccnc1)S(=O)(=O)[C@@H]1CCOC1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.944481 |
| Binding_energy | -39.252512 |
| Ligand_energy | 37.55603768210591 |
| Placement | Placement_800 "DNV2_NS5A-x0191 w/ C800" |