ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04010
Compound Name1-O-formyl-4'-demethoxy-3',4'-methylenedioxy-methyl rocaglate
Chemical ClassBenzofuranoids
Molecular Weight534.518
logP4.540
H-Bond Donor1.00
H-Bond Acceptor9
Caco-2 Permeability1087.277
logSwat-6.047
Number of Primary Metabolites6
Polar Surface Area130.810
Rotatable Bonds5
logKhsa0.684
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.780
Blood Brain Barrier (logBB)-0.736
CNS Permeability-1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00057
TaxKB   -
Structure Download

 






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