ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03268
Compound Name3-O-methylmalonylcabraleahydroxylactone
Chemical ClassTerpenoids
Molecular Weight516.717
logP4.999
H-Bond Donor0.00
H-Bond Acceptor7
Caco-2 Permeability402.085
logSwat-6.388
Number of Primary Metabolites2
Polar Surface Area106.737
Rotatable Bonds3
logKhsa1.125
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.833
Blood Brain Barrier (logBB)-0.947
CNS Permeability-1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2403
NPACT   -
TaxKB   -
Structure Download

 






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