Ligand |
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| Ligand Name: 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one | ||
| HET ID: BS0 | PubChem: 9174149 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=C1CCc2c(N1)ccc(c2)c1csc(n1)COc1ccccc1 | ||
| Standard InChI: InChI=1S/C19H16N2O2S/c22-18-9-7-13-10-14(6-8-16(13)20-18)17-12-24-19(21-17)11-23-15-4-2-1-3-5-15/h1-6,8,10,12H,7,9,11H2,(H,20,22) | ||
| Molecular Formula: C19H16N2O2S | Mol. Weight: 336.40753 | Heavy Atoms: 24 |
| Charge: 0 | Is Chiral: False | logP: 4.4118 |
| HBD: 1 | HBA: 5 | TPSA: 79.46 |
| #Bonds: 27 | #Rotatable Bonds: 4 | Shape Complexity: 0.15789473 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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