 |
| Ligand Name:
(2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane |
| HET ID: TI4 |
PubChem:
91808049
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: c1ccc(cn1)[C@H]1[C@@H]2C[C@@H]3CN1C[C@H](C2)C3 |
| Standard InChI: InChI=1S/C14H18N2/c1-2-12(7-15-3-1)14-13-5-10-4-11(6-13)9-16(14)8-10/h1-3,7,10-11,13-14H,4-6,8-9H2/t10-,11+,13-,14-/m0/s1 |
| Molecular Formula: C14H18N2 |
Mol. Weight: 214.30612 |
Heavy Atoms: 16 |
| Charge: 0 |
Is Chiral: True |
logP: 2.4223 |
| HBD: 0 |
HBA: 2 |
TPSA: 16.13 |
| #Bonds: 23 |
#Rotatable Bonds: 1 |
Shape Complexity: 0.64285713 |
| Stereocomplexity: 0.35714287 |
Ligand Type: Small Molecule |