ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02109
Compound Name(23S)-17alpha,23-Epoxy-28,29-dihydroxy-3beta-[(O-alpha-L-rhamnopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-27-norlanost-8-en-24-one
Chemical ClassUnknown
Molecular Weight1077.222
logP-3.512
H-Bond Donor13.00
H-Bond Acceptor38
Caco-2 Permeability0.316
logSwat-2.110
Number of Primary Metabolites18
Polar Surface Area348.968
Rotatable Bonds27
logKhsa-2.477
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.948
Blood Brain Barrier (logBB)-7.044
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol0788
NPACT   -
TaxKB   -
Structure Download

 






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