ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01480
Compound Name 2alpha, 13alpha-Dihydroxy-9alpha, 10beta-diacetoxy-5alpha-cinnamate taxa-4(20), 11-diene
Chemical ClassTerpenoids
Molecular Weight596.759
logP5.304
H-Bond Donor2.00
H-Bond Acceptor9
Caco-2 Permeability260.206
logSwat-6.390
Number of Primary Metabolites8
Polar Surface Area140.040
Rotatable Bonds10
logKhsa1.106
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.771
Blood Brain Barrier (logBB)-1.622
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   39
Structure Download

 






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