P439
| Id | 439 |
| Inchikey | DKTNGCSWFYUGJV-UHFFFAOYSA-N |
| Smiles | c1ccc(NCCCNCc2nccn2C2CC2)cc1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.923254 |
| Binding_energy | -13.273085 |
| Ligand_energy | 28.375001655535925 |
| Placement | Placement_439 "DNV2_NS5A-x0472 w/ C439" |