LigandBoxID:D05261

NAME:Omeprazole sodium injection;Omeprazole sodium hydrate;Omepral
SMILES: COc1ccc3NC(S(Cc2ncc(c(c2C)OC)C)=O)Nc3c1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D05261

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H18N3O3S 344.414 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -6.3541 -9.1061
LOGS LOGP    
0.2844 0.6353    

Links to the same SMILES compounds

LIGANDBOX C07324 D00455 D01207 D01984 D04056
D05259 D07917 D09339 D10120


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