P427
Id | 427 |
Inchikey | KUDSYFXDEZNMFY-DOMZBBRYSA-N |
Smiles | C[C@H](CC(=O)N1CCO[C@H](c2cc[nH]n2)C1)C1CCNCC1 |
Mol |
|
Is_fingerprinted | False |
Origin | COMPUTED |
Inspiration_distance | 0.802761 |
Binding_energy | -49.783545 |
Ligand_energy | 25.835245259638008 |
Placement | Placement_427 "DNV2_NS5A-x0160 w/ C427" |