ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04821
Compound NameDiallyldisulfide
Chemical ClassOrganic Chemicals
Molecular Weight146.265
logP3.269
H-Bond Donor0.00
H-Bond Acceptor1
Caco-2 Permeability9906.038
logSwat-3.130
Number of Primary Metabolites2
Polar Surface Area0.000
Rotatable Bonds5
logKhsa-0.140
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.752
Blood Brain Barrier (logBB)0.167
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01189
TaxKB   -
Structure Download

 






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