ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00779
Compound Name5-(Methylsulfinyl)-Pentanenitrile
Chemical ClassOrganic Chemicals
Molecular Weight145.219
logP-0.184
H-Bond Donor0.00
H-Bond Acceptor6
Caco-2 Permeability32.855
logSwat0.318
Number of Primary Metabolites2
Polar Surface Area45.814
Rotatable Bonds5
logKhsa-1.338
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.520
Blood Brain Barrier (logBB)-0.658
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2490
NPACT   -
TaxKB   -
Structure Download

 






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