ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03103
Compound NameVescalagin
Chemical ClassTannin
Molecular Weight934.641
logP-4.732
H-Bond Donor16.00
H-Bond Acceptor24
Caco-2 Permeability0.000
logSwat-2.944
Number of Primary Metabolites16
Polar Surface Area472.571
Rotatable Bonds16
logKhsa-1.240
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.480
Blood Brain Barrier (logBB)-8.571
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2143
NPACT   -
TaxKB   -
Structure Download

 






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