ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00006
Compound Name9-Deacetyl-9-benzoyl-10-debenzoylbrefoliol
Chemical ClassTerpenoids
Molecular Weight554.722
logP3.631
H-Bond Donor4.00
H-Bond Acceptor10
Caco-2 Permeability129.532
logSwat-4.885
Number of Primary Metabolites7
Polar Surface Area134.151
Rotatable Bonds10
logKhsa0.561
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.458
Blood Brain Barrier (logBB)-1.818
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   112
Structure Download

 






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