 |
| Ligand Name:
5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid |
| HET ID: AJD |
PubChem:
44216754,
72200048
|
| DrugBank: - |
ChEMBL: CHEMBL1230918 |
| Canonical SMILES: Brc1ccc(c(c1)C(=O)O)N[C@@H]1CCCNC1 |
| Standard InChI: InChI=1S/C12H15BrN2O2/c13-8-3-4-11(10(6-8)12(16)17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,16,17)/t9-/m1/s1 |
| Molecular Formula: C12H15BrN2O2 |
Mol. Weight: 299.1637 |
Heavy Atoms: 17 |
| Charge: 0 |
Is Chiral: True |
logP: 2.713 |
| HBD: 3 |
HBA: 4 |
TPSA: 61.36 |
| #Bonds: 19 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.41666666 |
| Stereocomplexity: 0.083333336 |
Ligand Type: Small Molecule |