ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02687
Compound NameTaccalonolide E
Chemical ClassSteroids
Molecular Weight644.714
logP1.806
H-Bond Donor2.00
H-Bond Acceptor15
Caco-2 Permeability72.453
logSwat-3.865
Number of Primary Metabolites4
Polar Surface Area204.921
Rotatable Bonds5
logKhsa0.003
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.441
Blood Brain Barrier (logBB)-1.632
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1494
NPACT   -
TaxKB   -
Structure Download

 






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