ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01289
Compound Name1-hydroxy-2-hydroxymethylanthraquinone
Chemical ClassPolycyclic aromatic natural products
Molecular Weight254.242
logP1.093
H-Bond Donor1.00
H-Bond Acceptor5
Caco-2 Permeability248.348
logSwat-2.465
Number of Primary Metabolites2
Polar Surface Area94.599
Rotatable Bonds3
logKhsa-0.371
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.617
Blood Brain Barrier (logBB)-1.062
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01063
TaxKB   -
Structure Download

 






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