ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00687
Compound Name(3R)-calussequinone
Chemical ClassFlavonoids
Molecular Weight286.284
logP1.429
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability353.876
logSwat-3.120
Number of Primary Metabolites4
Polar Surface Area96.071
Rotatable Bonds2
logKhsa-0.224
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.485
Blood Brain Barrier (logBB)-0.893
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2210
NPACT   -
TaxKB   -
Structure Download

 






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