LigandBoxID:D00640

NAME:Propafenone hydrochloride;Rythmol
SMILES: CCCNCC(COc2ccccc2C(CCc1ccccc1)=O)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00640

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H28NO3 342.459 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -3.9395 -12.0081
LOGS LOGP    
-4.3223 3.9380    

Links to the same SMILES compounds

LIGANDBOX C07381 D08435 HTS1610-00116382 HTS1610-00116383 HTS1610-00116384
HTS1610-00116385 KSH2016-03174457
CHEMBL CHEMBL1201063 CHEMBL1256654 CHEMBL1322675 CHEMBL1788268 CHEMBL631
ZINC ZINC01530759 ZINC01530760
PUBCHEM 1548987 1548988 184819 184820 184821
184822 36708 45114165 45359076 45359077 4932
53448504 657387


[Back to top page]