P831
| Id | 831 |
| Inchikey | CYTVGLIGRGDJAE-UHFFFAOYSA-N |
| Smiles | CN(C)C(=O)Cn1ccc(NS(=O)(=O)N2CCCCC2)n1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.973468 |
| Binding_energy | -8.628476 |
| Ligand_energy | 100.59498686623894 |
| Placement | Placement_832 "DNV2_NS5A-x0866 w/ C831" |