ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03398
Compound NameBarbatin E
Chemical ClassTerpenoids
Molecular Weight588.694
logP3.583
H-Bond Donor1.00
H-Bond Acceptor12
Caco-2 Permeability104.459
logSwat-5.158
Number of Primary Metabolites6
Polar Surface Area168.837
Rotatable Bonds10
logKhsa0.400
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.573
Blood Brain Barrier (logBB)-2.060
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2622
NPACT   -
TaxKB   -
Structure Download

 






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