ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01746
Compound Namekokusaginine
Chemical ClassOxygen heterocycles
Molecular Weight259.261
logP2.682
H-Bond Donor0.00
H-Bond Acceptor4
Caco-2 Permeability6323.482
logSwat-2.364
Number of Primary Metabolites4
Polar Surface Area44.684
Rotatable Bonds3
logKhsa-0.218
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.776
Blood Brain Barrier (logBB)0.218
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0094
NPACT   -
TaxKB   -
Structure Download

 






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