ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03297
Compound Name3beta-[(beta-D-glucopyranosyl)oxy]-12alpha,16beta-dihydroxy-9,19-cyclol-anostan-24-one
Chemical ClassUnknown
Molecular Weight636.865
logP2.468
H-Bond Donor6.00
H-Bond Acceptor16
Caco-2 Permeability55.552
logSwat-5.193
Number of Primary Metabolites8
Polar Surface Area156.102
Rotatable Bonds14
logKhsa0.030
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.896
Blood Brain Barrier (logBB)-2.803
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2449
NPACT   -
TaxKB   -
Structure Download

 






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