ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01555
Compound Name 10,13-Deacetyl abeobaccatin 4
Chemical ClassTerpenoids
Molecular Weight596.670
logP2.075
H-Bond Donor3.00
H-Bond Acceptor14
Caco-2 Permeability101.046
logSwat-3.799
Number of Primary Metabolites4
Polar Surface Area188.181
Rotatable Bonds10
logKhsa-0.047
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.713
Blood Brain Barrier (logBB)-1.909
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   119
Structure Download

 






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