ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03327
Compound Name6-O-(E)-p-coumaroyl scandoside methyl ester
Chemical ClassUnknown
Molecular Weight550.515
logP-1.177
H-Bond Donor6.00
H-Bond Acceptor18
Caco-2 Permeability2.823
logSwat-3.143
Number of Primary Metabolites9
Polar Surface Area222.011
Rotatable Bonds15
logKhsa-1.166
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.145
Blood Brain Barrier (logBB)-4.533
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2510
NPACT   -
TaxKB   -
Structure Download

 






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