ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04006
Compound Name1-beta,2-alpha-epoxytagitinin C
Chemical ClassTerpenoids
Molecular Weight364.394
logP1.156
H-Bond Donor1.00
H-Bond Acceptor10
Caco-2 Permeability333.387
logSwat-2.770
Number of Primary Metabolites5
Polar Surface Area129.912
Rotatable Bonds4
logKhsa-0.411
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.492
Blood Brain Barrier (logBB)-0.993
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00052
TaxKB   -
Structure Download

 






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