LigandBoxID:D01377

NAME:Prifinium bromide;Padrin
SMILES: CCN3(CCC(=C(c1ccccc1)c2ccccc2)C3C)CC

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01377

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H28N 306.473 1 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 1 -3.5455 -12.1080
LOGS LOGP    
-1.3446 2.2417    

Links to the same SMILES compounds

LIGANDBOX C12814
CHEMBL CHEMBL1213353 CHEMBL1229214
ZINC ZINC01481906 ZINC02037707
PUBCHEM 20749 4905 51380830 51382643


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