Ligand |
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| Ligand Name: baclofen | ||
| HET ID: 2C0 | PubChem: 44602, 6918881 | |
| DrugBank: DB08891 | ChEMBL: CHEMBL301742 | |
| Canonical SMILES: NC[C@@H](c1ccc(cc1)Cl)CC(=O)O | ||
| Standard InChI: InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1 | ||
| Molecular Formula: C10H12ClNO2 | Mol. Weight: 213.66078 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: True | logP: 2.5573 |
| HBD: 2 | HBA: 3 | TPSA: 63.32 |
| #Bonds: 15 | #Rotatable Bonds: 4 | Shape Complexity: 0.3 |
| Stereocomplexity: 0.1 | Ligand Type: Small Molecule | |
Binding Affinity |
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