ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03223
Compound Name24-methylene-3,4-seco-cycloart-4(28)-en-3-oic acid
Chemical ClassTerpenoids
Molecular Weight454.735
logP8.166
H-Bond Donor1.00
H-Bond Acceptor2
Caco-2 Permeability253.512
logSwat-8.745
Number of Primary Metabolites5
Polar Surface Area51.613
Rotatable Bonds9
logKhsa1.997
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-2.988
Blood Brain Barrier (logBB)-1.040
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2351
NPACT   -
TaxKB   -
Structure Download

 






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