Ligand |
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| Ligand Name: 4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide | ||
| HET ID: TWM | PubChem: 137634156 | |
| DrugBank: - | ChEMBL: CHEMBL4066920 | |
| Canonical SMILES: ONC(=O)c1ccc(cc1)Cn1cc(c2c1cccc2)CN(C)C | ||
| Standard InChI: InChI=1S/C19H21N3O2/c1-21(2)12-16-13-22(18-6-4-3-5-17(16)18)11-14-7-9-15(10-8-14)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23) | ||
| Molecular Formula: C19H21N3O2 | Mol. Weight: 323.38895 | Heavy Atoms: 24 |
| Charge: 0 | Is Chiral: False | logP: 3.2611 |
| HBD: 2 | HBA: 5 | TPSA: 57.5 |
| #Bonds: 26 | #Rotatable Bonds: 6 | Shape Complexity: 0.21052632 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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