ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00987
Compound Nametrans-2-Hydroxyisoxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid
Chemical ClassBenzofuranoids
Molecular Weight306.358
logP2.506
H-Bond Donor3.00
H-Bond Acceptor5
Caco-2 Permeability49.415
logSwat-3.560
Number of Primary Metabolites5
Polar Surface Area99.881
Rotatable Bonds6
logKhsa-0.119
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-2.214
Blood Brain Barrier (logBB)-1.397
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3611
NPACT   -
TaxKB   -
Structure Download

 






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