ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03160
Compound Name1-O-galloyl castalagin
Chemical ClassTannin
Molecular Weight1086.747
logP-4.872
H-Bond Donor18.00
H-Bond Acceptor27
Caco-2 Permeability0.000
logSwat-2.300
Number of Primary Metabolites19
Polar Surface Area540.186
Rotatable Bonds20
logKhsa-1.344
Number of Reactive Functional Groups6
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.417
Blood Brain Barrier (logBB)-8.994
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2241
NPACT   -
TaxKB   -
Structure Download

 






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