P811
| Id | 811 |
| Inchikey | TXVJWSUUKKOFIK-UHFFFAOYSA-N |
| Smiles | Cn1ncc(C(=O)OCCCCC(C)(F)F)c1-n1cccc1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.99812 |
| Binding_energy | -38.390296 |
| Ligand_energy | 30.377399554941178 |
| Placement | Placement_812 "DNV2_NS5A-x0472 w/ C812" |