ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04614
Compound NamePurpurediolin
Chemical ClassPolyketides
Molecular Weight638.924
logP6.452
H-Bond Donor4.00
H-Bond Acceptor13
Caco-2 Permeability168.749
logSwat-9.205
Number of Primary Metabolites8
Polar Surface Area134.140
Rotatable Bonds28
logKhsa0.788
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-7.042
Blood Brain Barrier (logBB)-3.901
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00889
TaxKB   -
Structure Download

 






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