LigandBoxID:D03503

NAME:Cimetidine hydrochloride;Cimetidine hydrochloride
SMILES: N#CN=C(NCCSCC1NCNC1C)NC

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03503

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H16N6S 252.345 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 0.2171 -8.5361
LOGS LOGP    
-1.7404 1.6049    

Links to the same SMILES compounds

LIGANDBOX C06952 D00295


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