ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01058
Compound Name9-alpha-hydroxy-1-beta,10-alpha-epoxyparthenolide
Chemical ClassTerpenoids
Molecular Weight280.320
logP0.245
H-Bond Donor1.00
H-Bond Acceptor9
Caco-2 Permeability977.908
logSwat-1.091
Number of Primary Metabolites2
Polar Surface Area86.558
Rotatable Bonds2
logKhsa-0.749
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-2.025
Blood Brain Barrier (logBB)-0.294
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00206
TaxKB   -
Structure Download

 






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