ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03717
Compound Namebenzylisothiocyanate
Chemical ClassSimple aromatic natural products
Molecular Weight149.210
logP2.243
H-Bond Donor0.00
H-Bond Acceptor3
Caco-2 Permeability7660.949
logSwat-2.033
Number of Primary Metabolites1
Polar Surface Area11.614
Rotatable Bonds3
logKhsa-0.522
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.425
Blood Brain Barrier (logBB)0.517
CNS Permeability2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3191
NPACT   -
TaxKB   -
Structure Download

 






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