ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01000
Compound Name1,3,5-trihydroxy-4-methoxyxanthone
Chemical ClassSimple aromatic natural products
Molecular Weight274.229
logP1.282
H-Bond Donor2.00
H-Bond Acceptor5
Caco-2 Permeability209.011
logSwat-2.526
Number of Primary Metabolites4
Polar Surface Area105.741
Rotatable Bonds4
logKhsa-0.236
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.210
Blood Brain Barrier (logBB)-1.147
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00025
TaxKB   -
Structure Download

 






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