P748
| Id | 748 |
| Inchikey | FURJNGPDIFHZDK-JTQLQIEISA-N |
| Smiles | CNS(=O)(=O)c1ccc(N2CC[C@H](c3ccn[nH]3)C2)nc1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.904184 |
| Binding_energy | -19.109484 |
| Ligand_energy | 49.367197502711306 |
| Placement | Placement_749 "DNV2_NS5A-x0160 w/ C749" |