ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00177
Compound Name2-acetoxy-3-hydroxy-labda-8(17),12(E),14-triene
Chemical ClassTerpenoids
Molecular Weight346.509
logP4.626
H-Bond Donor1.00
H-Bond Acceptor4
Caco-2 Permeability1365.159
logSwat-5.551
Number of Primary Metabolites5
Polar Surface Area58.875
Rotatable Bonds5
logKhsa0.922
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.089
Blood Brain Barrier (logBB)-0.553
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0472
NPACT   -
TaxKB   -
Structure Download

 






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