ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02865
Compound Name1,3-Dihydroxy-5-O-beta-D-glucopyranosyl-xanthone-4-sulfonate
Chemical ClassUnknown
Molecular Weight486.403
logP-1.256
H-Bond Donor5.00
H-Bond Acceptor15
Caco-2 Permeability0.756
logSwat-2.090
Number of Primary Metabolites6
Polar Surface Area232.577
Rotatable Bonds11
logKhsa-1.241
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-3.192
Blood Brain Barrier (logBB)-3.630
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1735
NPACT   -
TaxKB   -
Structure Download

 






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