ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00355
Compound NameChaparrinone
Chemical ClassTerpenoids
Molecular Weight378.421
logP0.420
H-Bond Donor3.00
H-Bond Acceptor10
Caco-2 Permeability192.883
logSwat-2.486
Number of Primary Metabolites5
Polar Surface Area125.965
Rotatable Bonds3
logKhsa-0.339
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-2.605
Blood Brain Barrier (logBB)-0.982
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0924
NPACT   -
TaxKB   -
Structure Download

 






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