ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00774
Compound Name4alpha, 10beta-dihydroxy-1betaH,5alphaH-guai-6(7)-en-11-one
Chemical ClassTerpenoids
Molecular Weight238.326
logP2.159
H-Bond Donor2.00
H-Bond Acceptor4
Caco-2 Permeability942.181
logSwat-3.136
Number of Primary Metabolites4
Polar Surface Area65.907
Rotatable Bonds3
logKhsa0.062
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.113
Blood Brain Barrier (logBB)-0.498
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2479
NPACT   -
TaxKB   -
Structure Download

 






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