ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01034
Compound Name4-alpha,10-alpha-dihydroxy-3-oxo-8-beta-isobutyryloxyguaia-11(13)-en-12,6-alpha-olide
Chemical ClassTerpenoids
Molecular Weight366.410
logP1.494
H-Bond Donor2.00
H-Bond Acceptor9
Caco-2 Permeability153.357
logSwat-3.700
Number of Primary Metabolites5
Polar Surface Area133.348
Rotatable Bonds5
logKhsa-0.108
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.929
Blood Brain Barrier (logBB)-1.468
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00150
TaxKB   -
Structure Download

 






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