ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02345
Compound Name3beta-((alpha-L-Arabinopyranosyl)oxy)-23-hy-droxyurs-12,19(29)-dien-28-oic acid 28-beta-D-glucopyranosylester
Chemical ClassUnknown
Molecular Weight764.949
logP0.946
H-Bond Donor8.00
H-Bond Acceptor21
Caco-2 Permeability5.199
logSwat-5.292
Number of Primary Metabolites11
Polar Surface Area222.749
Rotatable Bonds15
logKhsa-0.390
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.547
Blood Brain Barrier (logBB)-4.310
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1071
NPACT   -
TaxKB   -
Structure Download

 






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