ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00722
Compound Name1alpha,6beta,12-trihydroxy-1betaH,5alphaH,11H-guai-6(7)-ene
Chemical ClassTerpenoids
Molecular Weight254.369
logP2.494
H-Bond Donor3.00
H-Bond Acceptor3
Caco-2 Permeability1051.228
logSwat-3.165
Number of Primary Metabolites6
Polar Surface Area60.765
Rotatable Bonds5
logKhsa0.088
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.221
Blood Brain Barrier (logBB)-0.591
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2296
NPACT   -
TaxKB   -
Structure Download

 






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