P729
| Id | 729 |
| Inchikey | LKFNBVQMNIXWEQ-HNNXBMFYSA-N |
| Smiles | c1ccc2c(CN3CCC[C@H](c4ccn[nH]4)C3)nccc2c1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.917189 |
| Binding_energy | -31.271857 |
| Ligand_energy | 23.325917568272132 |
| Placement | Placement_730 "DNV2_NS5A-x0160 w/ C730" |