ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02830
Compound NameIsoobtusilactone
Chemical ClassOrganic Chemicals
Molecular Weight278.391
logP3.900
H-Bond Donor1.00
H-Bond Acceptor4
Caco-2 Permeability1446.985
logSwat-4.384
Number of Primary Metabolites3
Polar Surface Area60.133
Rotatable Bonds13
logKhsa0.225
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.275
Blood Brain Barrier (logBB)-1.145
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1661
NPACT   -
TaxKB   -
Structure Download

 






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