ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00481
Compound NamePectinolide B
Chemical ClassOxygen heterocycles
Molecular Weight268.309
logP1.279
H-Bond Donor1.00
H-Bond Acceptor7
Caco-2 Permeability443.027
logSwat-1.903
Number of Primary Metabolites3
Polar Surface Area98.728
Rotatable Bonds7
logKhsa-0.466
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.339
Blood Brain Barrier (logBB)-1.008
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1678
NPACT   -
TaxKB   -
Structure Download

 






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