ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02747
Compound NameAllyl methyl trisulfide
Chemical ClassOrganic Chemicals
Molecular Weight152.287
logP3.578
H-Bond Donor0.00
H-Bond Acceptor1
Caco-2 Permeability9906.038
logSwat-3.088
Number of Primary Metabolites1
Polar Surface Area0.000
Rotatable Bonds4
logKhsa-0.095
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.316
Blood Brain Barrier (logBB)0.325
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1574
NPACT   -
TaxKB   -
Structure Download

 






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