ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01378
Compound NameTrichothecolone
Chemical Classunknown
Molecular Weight264.321
logP0.818
H-Bond Donor1.00
H-Bond Acceptor7
Caco-2 Permeability1706.639
logSwat-1.724
Number of Primary Metabolites5
Polar Surface Area66.378
Rotatable Bonds1
logKhsa-0.539
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-2.399
Blood Brain Barrier (logBB)-0.086
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01354
TaxKB   -
Structure Download

 






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