Ligand |
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| Ligand Name: 4-(1~{H}-indol-3-yl)butan-2-one | ||
| HET ID: 9BF | PubChem: 246918 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CC(=O)CCc1c[nH]c2c1cccc2 | ||
| Standard InChI: InChI=1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3 | ||
| Molecular Formula: C12H13NO | Mol. Weight: 187.23772 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: 2.6895 |
| HBD: 1 | HBA: 1 | TPSA: 32.86 |
| #Bonds: 16 | #Rotatable Bonds: 3 | Shape Complexity: 0.25 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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