LigandBoxID:C07325

NAME:Ondansetron
SMILES: CC1NCCN1CC2CCc4n(c3ccccc3c4C2=O)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_COMPOUND
C07325

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 -0.2259 -8.8834
LOGS LOGP    
0.9978 3.3654    

Links to the same SMILES compounds

LIGANDBOX D00456 D00678


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