ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01009
Compound Name17-alpha-H-periplogenin-3-O-beta-d-digitoxoside
Chemical ClassSteroids
Molecular Weight534.689
logP2.692
H-Bond Donor4.00
H-Bond Acceptor11
Caco-2 Permeability126.865
logSwat-5.320
Number of Primary Metabolites6
Polar Surface Area133.858
Rotatable Bonds7
logKhsa0.334
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.442
Blood Brain Barrier (logBB)-1.801
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00048
TaxKB   -
Structure Download

 






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