Ligand |
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| Ligand Name: 1-ethanoylpiperidine-4-carbonitrile | ||
| HET ID: S1V | PubChem: 2756286 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: N#CC1CCN(CC1)C(=O)C | ||
| Standard InChI: InChI=1S/C8H12N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-5H2,1H3 | ||
| Molecular Formula: C8H12N2O | Mol. Weight: 152.19368 | Heavy Atoms: 11 |
| Charge: 0 | Is Chiral: False | logP: 0.70638 |
| HBD: 0 | HBA: 3 | TPSA: 44.1 |
| #Bonds: 11 | #Rotatable Bonds: 1 | Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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