ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03917
Compound Nametrans-murisolinone
Chemical ClassPolyketides
Molecular Weight566.860
logP7.284
H-Bond Donor2.00
H-Bond Acceptor10
Caco-2 Permeability293.976
logSwat-9.578
Number of Primary Metabolites5
Polar Surface Area112.000
Rotatable Bonds27
logKhsa1.189
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.775
Blood Brain Barrier (logBB)-3.414
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3616
NPACT   -
TaxKB   -
Structure Download

 






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