ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02951
Compound Name(3R,5R)-3,5-Dihydroxy-1-(3,4-dihydro-xyphenyl)-7-(4-hydroxyphenyl)heptane 5-O-beta-D-glucopyranoside
Chemical ClassUnknown
Molecular Weight494.538
logP-0.058
H-Bond Donor8.00
H-Bond Acceptor14
Caco-2 Permeability5.700
logSwat-2.792
Number of Primary Metabolites10
Polar Surface Area187.211
Rotatable Bonds19
logKhsa-0.934
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.145
Blood Brain Barrier (logBB)-4.281
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1848
NPACT   -
TaxKB   -
Structure Download

 






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