 |
| Ligand Name:
(2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane |
| HET ID: 4VU |
PubChem:
10465094
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: c1ccc(cn1)[C@H]1CC2CCN1CC2 |
| Standard InChI: InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2/t12-/m1/s1 |
| Molecular Formula: C12H16N2 |
Mol. Weight: 188.26884 |
Heavy Atoms: 14 |
| Charge: 0 |
Is Chiral: True |
logP: 2.1763 |
| HBD: 0 |
HBA: 2 |
TPSA: 16.13 |
| #Bonds: 17 |
#Rotatable Bonds: 1 |
Shape Complexity: 0.5833333 |
| Stereocomplexity: 0.25 |
Ligand Type: Small Molecule |