 |
| Ligand Name:
(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE |
| HET ID: TKT |
PubChem:
656665
|
| DrugBank: DB11699 |
ChEMBL: CHEMBL56564 |
| Canonical SMILES: CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 |
| Standard InChI: InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+ |
| Molecular Formula: C17H20N2O2 |
Mol. Weight: 284.3529 |
Heavy Atoms: 21 |
| Charge: 0 |
Is Chiral: True |
logP: 2.8878 |
| HBD: 1 |
HBA: 3 |
TPSA: 45.33 |
| #Bonds: 28 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.47058824 |
| Stereocomplexity: 0.1764706 |
Ligand Type: Small Molecule |