ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00772
Compound Name4-epi-scopadulcic acid B
Chemical ClassTerpenoids
Molecular Weight438.563
logP4.713
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability135.298
logSwat-5.706
Number of Primary Metabolites1
Polar Surface Area96.620
Rotatable Bonds3
logKhsa0.695
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-2.713
Blood Brain Barrier (logBB)-0.813
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2476
NPACT   -
TaxKB   -
Structure Download

 






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