ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01721
Compound NameOxohernandaline
Chemical ClassAlkaloids
Molecular Weight501.492
logP3.483
H-Bond Donor0.00
H-Bond Acceptor9
Caco-2 Permeability484.436
logSwat-4.849
Number of Primary Metabolites6
Polar Surface Area119.447
Rotatable Bonds8
logKhsa-0.007
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.861
Blood Brain Barrier (logBB)-1.388
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0043
NPACT   -
TaxKB   -
Structure Download

 






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