ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00985
Compound Namethymoquinone
Chemical ClassTerpenoids
Molecular Weight164.204
logP0.750
H-Bond Donor0.00
H-Bond Acceptor4
Caco-2 Permeability1048.852
logSwat-1.510
Number of Primary Metabolites2
Polar Surface Area57.383
Rotatable Bonds1
logKhsa-0.632
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.340
Blood Brain Barrier (logBB)-0.338
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3607
NPACT   -
TaxKB   -
Structure Download

 






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