 |
| Ligand Name:
Alpha-Lobeline |
| HET ID: L0B |
PubChem:
101616
|
| DrugBank: DB05137 |
ChEMBL: CHEMBL122270 |
| Canonical SMILES: O[C@H](c1ccccc1)C[C@@H]1CCC[C@@H](N1C)CC(=O)c1ccccc1 |
| Standard InChI: InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1 |
| Molecular Formula: C22H27NO2 |
Mol. Weight: 337.4553 |
Heavy Atoms: 25 |
| Charge: 0 |
Is Chiral: True |
logP: 4.1739 |
| HBD: 1 |
HBA: 3 |
TPSA: 40.54 |
| #Bonds: 30 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.4090909 |
| Stereocomplexity: 0.13636364 |
Ligand Type: Small Molecule |