ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04451
Compound NameHernone
Chemical ClassLignans
Molecular Weight432.469
logP3.445
H-Bond Donor1.00
H-Bond Acceptor9
Caco-2 Permeability1891.130
logSwat-4.721
Number of Primary Metabolites9
Polar Surface Area93.339
Rotatable Bonds9
logKhsa0.031
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.346
Blood Brain Barrier (logBB)-0.769
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00658
TaxKB   -
Structure Download

 






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