 |
| 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 |
Ligand Type: Small Molecule |