ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01554
Compound Name 10 beta-Bezoyloxy-1 beta-hydroxy-5 alpha(3'-methylamino-3'phenylpropanoyloxy-7 beta,9alpha,13 alpha-triacetoxy(15-1)-abeotaxa 4(20),11-diene
Chemical ClassTerpenoids
Molecular Weight725.875
logP5.380
H-Bond Donor1.00
H-Bond Acceptor13
Caco-2 Permeability72.289
logSwat-5.683
Number of Primary Metabolites10
Polar Surface Area176.588
Rotatable Bonds12
logKhsa1.085
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines1
Number of Acids0
loghERG-6.053
Blood Brain Barrier (logBB)-1.412
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   118
Structure Download

 






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