P413
| Id | 413 |
| Inchikey | YVVYLMDYBLZVGB-GHMZBOCLSA-N |
| Smiles | CC[C@H]1OCC[C@@H]1CNCc1cn[nH]c1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.988307 |
| Binding_energy | -23.012811 |
| Ligand_energy | 18.426179105351757 |
| Placement | Placement_413 "DNV2_NS5A-x0254 w/ C411" |