ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00745
Compound Name3-(3,4-dimethoxyphenyl)propan-1-ol
Chemical ClassOrganic Chemicals
Molecular Weight196.246
logP2.270
H-Bond Donor1.00
H-Bond Acceptor3
Caco-2 Permeability2880.513
logSwat-2.397
Number of Primary Metabolites4
Polar Surface Area38.826
Rotatable Bonds6
logKhsa-0.230
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.935
Blood Brain Barrier (logBB)-0.288
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2387
NPACT   -
TaxKB   -
Structure Download

 






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