ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02931
Compound Name3''-Methoxynyasol
Chemical ClassOrganic Chemicals
Molecular Weight282.338
logP4.729
H-Bond Donor2.00
H-Bond Acceptor2
Caco-2 Permeability923.080
logSwat-4.449
Number of Primary Metabolites4
Polar Surface Area52.501
Rotatable Bonds7
logKhsa0.469
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.772
Blood Brain Barrier (logBB)-0.920
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1828
NPACT   -
TaxKB   -
Structure Download

 






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