ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00513
Compound Name1,3-Dihydroxy-5-methoxyxanthone-4-sulfonate
Chemical ClassOrganic Chemicals
Molecular Weight338.288
logP1.225
H-Bond Donor1.00
H-Bond Acceptor7
Caco-2 Permeability15.022
logSwat-2.539
Number of Primary Metabolites3
Polar Surface Area138.841
Rotatable Bonds5
logKhsa-0.591
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-2.726
Blood Brain Barrier (logBB)-1.796
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1738
NPACT   -
TaxKB   -
Structure Download

 






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