 |
| Ligand Name:
1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline |
| HET ID: F0C |
PubChem:
3016591
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: COc1ccc(cc1)CC1=NCCC2=C1CCCC2 |
| Standard InChI: InChI=1S/C17H21NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9H,2-5,10-12H2,1H3 |
| Molecular Formula: C17H21NO |
Mol. Weight: 255.35474 |
Heavy Atoms: 19 |
| Charge: 0 |
Is Chiral: False |
logP: 3.3886 |
| HBD: 0 |
HBA: 2 |
TPSA: 21.59 |
| #Bonds: 21 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.47058824 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |