ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00643
Compound NameNemerosin
Chemical ClassLignans
Molecular Weight398.412
logP3.583
H-Bond Donor0.00
H-Bond Acceptor7
Caco-2 Permeability4080.860
logSwat-3.584
Number of Primary Metabolites5
Polar Surface Area79.609
Rotatable Bonds7
logKhsa-0.077
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.807
Blood Brain Barrier (logBB)-0.236
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2060
NPACT   -
TaxKB   -
Structure Download

 






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