P821
| Id | 821 |
| Inchikey | ROUNVNLNYKULJE-IUCAKERBSA-N |
| Smiles | NC[C@@H]1C[C@@H](CNCc2cncs2)CO1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.957126 |
| Binding_energy | -101.231071 |
| Ligand_energy | 20.231409882130087 |
| Placement | Placement_822 "DNV2_NS5A-x0615 w/ C821" |