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Ligand Download |
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| Ligand Name: 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid | ||
| HET ID: MH5 | PubChem: 916577 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Cc1ccc(s1)CNc1cccc(c1)C(=O)O | ||
| Standard InChI: InChI=1S/C13H13NO2S/c1-9-5-6-12(17-9)8-14-11-4-2-3-10(7-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16) | ||
| Molecular Formula: C13H13NO2S | Mol. Weight: 247.31282 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 3.4398 |
| HBD: 2 | HBA: 4 | TPSA: 77.57 |
| #Bonds: 18 | #Rotatable Bonds: 4 | Shape Complexity: 0.15384616 |
| Stereocomplexity: 0.0 | ||