ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04965
Compound Name(3S,5S)-3,5-dihydroxy-1,7-bis(4-hydroxyphenyl)heptane
Chemical ClassPolycyclic aromatic natural products
Molecular Weight316.396
logP2.778
H-Bond Donor4.00
H-Bond Acceptor5
Caco-2 Permeability193.719
logSwat-3.995
Number of Primary Metabolites6
Polar Surface Area85.782
Rotatable Bonds12
logKhsa-0.048
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.313
Blood Brain Barrier (logBB)-2.058
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01400
TaxKB   -
Structure Download

 






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