P453
| Id | 453 |
| Inchikey | RBCYBRWRXNYUSR-UHFFFAOYSA-N |
| Smiles | c1cc(N2CCCOCC2)ccn1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.830006 |
| Binding_energy | -27.769108 |
| Ligand_energy | 13.4232369519396 |
| Placement | Placement_453 "DNV2_NS5A-x0254 w/ C452" |