ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04676
Compound NameThymol
Chemical ClassTerpenoids
Molecular Weight150.220
logP3.299
H-Bond Donor1.00
H-Bond Acceptor1
Caco-2 Permeability3784.905
logSwat-2.326
Number of Primary Metabolites3
Polar Surface Area20.864
Rotatable Bonds2
logKhsa0.055
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.592
Blood Brain Barrier (logBB)0.082
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00975
TaxKB   -
Structure Download

 






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