LigandBoxID:D00678

NAME:Ondansetron hydrochloride hydrate;Ondansetron hydrochloride;Zofran
SMILES: CC1NCCN1CC2CCc4n(c3ccccc3c4C2=O)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00678

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H19N3O 293.370 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 -0.2257 -8.8827
LOGS LOGP    
-2.4578 2.0055    

Links to the same SMILES compounds

LIGANDBOX C07325 D00456


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