Ligand |
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| Ligand Name: N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide | ||
| HET ID: TWS | PubChem: 146676960 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OCCc1cn(c2c1cccc2)Cc1ccc(cc1)C(=O)NO | ||
| Standard InChI: InChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22) | ||
| Molecular Formula: C18H18N2O3 | Mol. Weight: 310.3471 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: False | logP: 2.7343 |
| HBD: 3 | HBA: 5 | TPSA: 74.49 |
| #Bonds: 25 | #Rotatable Bonds: 6 | Shape Complexity: 0.16666667 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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