LigandBoxID:D08214

NAME:Metronidazole benzoate;Elyzol
SMILES: CC2NCC(N2CCOC(c1ccccc1)=O)N(=O)O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08214

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C13H13N3O4 275.264 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -1.5614 -9.9339
LOGS LOGP    
-2.7661 3.5253    

Links to the same SMILES compounds

LIGANDBOX HTS1410-00277510


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