LigandBoxID:D09991

NAME:Vipadenant
SMILES: Nc2ccc(CN3NNc4c(c1occc1)nc(nc43)N)cc2C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D09991

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H15N7O 321.344 0 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -0.8608 -8.4988
LOGS LOGP    
-4.9942 2.4557    

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