ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02947
Compound Name(3S,5S)-3,5-Dihydroxy-1,7-bis(4-hydro-xyphenyl)heptane
Chemical ClassUnknown
Molecular Weight316.396
logP2.780
H-Bond Donor4.00
H-Bond Acceptor5
Caco-2 Permeability192.591
logSwat-4.000
Number of Primary Metabolites6
Polar Surface Area85.884
Rotatable Bonds12
logKhsa-0.047
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.316
Blood Brain Barrier (logBB)-2.062
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1844
NPACT   -
TaxKB   -
Structure Download

 






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