ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03326
Compound Name6-O-(2-carbonyl-3-methylbutanoyl)scutehenanine A
Chemical ClassTerpenoids
Molecular Weight551.635
logP3.344
H-Bond Donor1.00
H-Bond Acceptor11
Caco-2 Permeability107.523
logSwat-4.984
Number of Primary Metabolites7
Polar Surface Area156.339
Rotatable Bonds8
logKhsa0.338
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.017
Blood Brain Barrier (logBB)-1.884
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2509
NPACT   -
TaxKB   -
Structure Download

 






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