ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01521
Compound Name 7beta, 9alpha, 10beta, 13alpha, 20-Pentaacetoxy-2alpha-benzoyloxy-4alpha, 5alpha-dihydroxytax-11-ene
Chemical ClassTerpenoids
Molecular Weight772.928
logP5.935
H-Bond Donor2.00
H-Bond Acceptor13
Caco-2 Permeability59.145
logSwat-7.647
Number of Primary Metabolites6
Polar Surface Area215.053
Rotatable Bonds16
logKhsa1.185
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.859
Blood Brain Barrier (logBB)-3.002
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   82
Structure Download

 






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