Ligand |
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| Ligand Name: ~{N}-(4-cyanophenyl)ethanamide | ||
| HET ID: S0P | PubChem: 37256 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: N#Cc1ccc(cc1)NC(=O)C | ||
| Standard InChI: InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12) | ||
| Molecular Formula: C9H8N2O | Mol. Weight: 160.17262 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: False | logP: 1.58968 |
| HBD: 1 | HBA: 3 | TPSA: 52.89 |
| #Bonds: 12 | #Rotatable Bonds: 2 | Shape Complexity: 0.125 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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