ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02927
Compound Name3'-Hydroxy-4'-methoxy-4'-dehydroxynyasol
Chemical ClassPolycyclic aromatic natural products
Molecular Weight282.338
logP4.727
H-Bond Donor2.00
H-Bond Acceptor2
Caco-2 Permeability925.423
logSwat-4.557
Number of Primary Metabolites4
Polar Surface Area52.471
Rotatable Bonds7
logKhsa0.494
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.957
Blood Brain Barrier (logBB)-0.945
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1824
NPACT   -
TaxKB   -
Structure Download

 






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