 |
| Ligand Name:
2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE |
| HET ID: VU3 |
PubChem:
5013705
|
| DrugBank: - |
ChEMBL: CHEMBL1831032 |
| Canonical SMILES: c1ccc(cc1)C1CCN(CC1)CCc1cc2c([nH]1)cccc2 |
| Standard InChI: InChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2 |
| Molecular Formula: C21H24N2 |
Mol. Weight: 304.42865 |
Heavy Atoms: 23 |
| Charge: 0 |
Is Chiral: False |
logP: 4.5279 |
| HBD: 1 |
HBA: 1 |
TPSA: 19.03 |
| #Bonds: 27 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |