P829
| Id | 829 |
| Inchikey | NKVIYNZLCNNVKG-UHFFFAOYSA-N |
| Smiles | CN(C)C(=O)Cn1cc(NS(=O)(=O)N2CCCCC2)cn1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.759189 |
| Binding_energy | -20.466027 |
| Ligand_energy | 102.10582575841823 |
| Placement | Placement_830 "DNV2_NS5A-x0866 w/ C829" |