ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04526
Compound NameMangostinone
Chemical ClassSimple aromatic natural products
Molecular Weight380.440
logP4.569
H-Bond Donor2.00
H-Bond Acceptor4
Caco-2 Permeability350.255
logSwat-6.248
Number of Primary Metabolites9
Polar Surface Area94.007
Rotatable Bonds8
logKhsa0.863
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.897
Blood Brain Barrier (logBB)-1.525
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00752
TaxKB   -
Structure Download

 






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