ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04056
Compound Name3-beta-O-(E)-feruloylbetulin
Chemical ClassTerpenoids
Molecular Weight604.868
logP8.133
H-Bond Donor2.00
H-Bond Acceptor5
Caco-2 Permeability558.581
logSwat-10.237
Number of Primary Metabolites5
Polar Surface Area81.461
Rotatable Bonds9
logKhsa2.310
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.973
Blood Brain Barrier (logBB)-1.462
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00123
TaxKB   -
Structure Download

 






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