 |
| Ligand Name:
1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE |
| HET ID: E20 |
PubChem:
1150567
|
| DrugBank: DB07701 |
ChEMBL: CHEMBL107316 |
| Canonical SMILES: COc1cc2c(cc1OC)C[C@H](C2=O)CC1CCN(CC1)Cc1ccccc1 |
| Standard InChI: InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m1/s1 |
| Molecular Formula: C24H29NO3 |
Mol. Weight: 379.49197 |
Heavy Atoms: 28 |
| Charge: 0 |
Is Chiral: True |
logP: 4.299 |
| HBD: 0 |
HBA: 4 |
TPSA: 38.77 |
| #Bonds: 32 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.45833334 |
| Stereocomplexity: 0.041666668 |
Ligand Type: Small Molecule |