ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03673
Compound NameTrilobalicin
Chemical ClassOrganic Chemicals
Molecular Weight610.870
logP5.270
H-Bond Donor4.00
H-Bond Acceptor13
Caco-2 Permeability414.444
logSwat-5.507
Number of Primary Metabolites8
Polar Surface Area131.397
Rotatable Bonds27
logKhsa0.295
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.560
Blood Brain Barrier (logBB)-2.761
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3116
NPACT   -
TaxKB   -
Structure Download

 






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