ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04052
Compound NameDiallyl trisul?de
Chemical ClassOrganic Chemicals
Molecular Weight178.325
logP4.126
H-Bond Donor0.00
H-Bond Acceptor1
Caco-2 Permeability9906.038
logSwat-4.088
Number of Primary Metabolites2
Polar Surface Area0.000
Rotatable Bonds6
logKhsa0.099
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.722
Blood Brain Barrier (logBB)0.350
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00118
TaxKB   -
Structure Download

 






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