ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00945
Compound Namelignan
Chemical ClassLignans
Molecular Weight458.507
logP4.182
H-Bond Donor0.00
H-Bond Acceptor8
Caco-2 Permeability2081.491
logSwat-4.727
Number of Primary Metabolites8
Polar Surface Area94.659
Rotatable Bonds7
logKhsa0.294
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.464
Blood Brain Barrier (logBB)-0.543
CNS Permeability-1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3400
NPACT   -
TaxKB   -
Structure Download

 






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