ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04956
Compound Namebeta-caryophyllene 4,5 alpha-oxide
Chemical ClassTerpenoids
Molecular Weight220.354
logP2.494
H-Bond Donor0.00
H-Bond Acceptor2
Caco-2 Permeability9906.038
logSwat-4.333
Number of Primary Metabolites2
Polar Surface Area13.045
Rotatable Bonds0
logKhsa0.380
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-2.317
Blood Brain Barrier (logBB)0.094
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01387
TaxKB   -
Structure Download

 






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