ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01949
Compound Name1alpha,7alpha,10alphaH-guaia-4,11-dien-3-one
Chemical ClassTerpenoids
Molecular Weight218.338
logP3.502
H-Bond Donor0.00
H-Bond Acceptor2
Caco-2 Permeability3147.734
logSwat-4.244
Number of Primary Metabolites6
Polar Surface Area29.862
Rotatable Bonds1
logKhsa0.491
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.528
Blood Brain Barrier (logBB)0.057
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0441
NPACT   -
TaxKB   -
Structure Download

 






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