ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00637
Compound NameFB5 (3'-Demethoxy-6-O-demethylisoguaicin)
Chemical ClassUnknown
Molecular Weight284.354
logP2.909
H-Bond Donor3.00
H-Bond Acceptor2
Caco-2 Permeability324.100
logSwat-4.265
Number of Primary Metabolites5
Polar Surface Area66.809
Rotatable Bonds3
logKhsa0.383
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.651
Blood Brain Barrier (logBB)-1.016
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2050
NPACT   -
TaxKB   -
Structure Download

 






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