ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02030
Compound Name3-O-(2'E,4'E-decadienoyl)ingenol
Chemical ClassTerpenoids
Molecular Weight498.658
logP4.871
H-Bond Donor3.00
H-Bond Acceptor8
Caco-2 Permeability522.572
logSwat-6.682
Number of Primary Metabolites7
Polar Surface Area104.711
Rotatable Bonds12
logKhsa0.796
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.383
Blood Brain Barrier (logBB)-1.641
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol0691
NPACT   -
TaxKB   -
Structure Download

 






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