LigandBoxID:D02969

NAME:Aprindine
SMILES: CCN(CCCN(C2Cc3ccccc3C2)c1ccccc1)CC

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02969

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H31N2 323.504 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -3.8224 -11.3738
LOGS LOGP    
-4.5029 5.7096    

Links to the same SMILES compounds

LIGANDBOX D01326
CHEMBL CHEMBL1213033
ZINC ZINC01420561
PUBCHEM 1501903 2218 42614134 51371297 71413


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