ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02588
Compound NameSecurigenin-3beta-O-beta-6-deoxyguloside
Chemical ClassSteroids
Molecular Weight550.645
logP0.131
H-Bond Donor5.00
H-Bond Acceptor16
Caco-2 Permeability16.027
logSwat-3.986
Number of Primary Metabolites7
Polar Surface Area185.986
Rotatable Bonds8
logKhsa-0.451
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.519
Blood Brain Barrier (logBB)-2.814
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1374
NPACT   -
TaxKB   -
Structure Download

 






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