P820
| Id | 820 |
| Inchikey | ROUNVNLNYKULJE-IUCAKERBSA-N |
| Smiles | NC[C@@H]1C[C@@H](CNCc2cncs2)CO1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.814385 |
| Binding_energy | -103.018668 |
| Ligand_energy | 21.25696908697337 |
| Placement | Placement_821 "DNV2_NS5A-x0254 w/ C821" |