ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03142
Compound Name(23S)-3beta-hydroxy-7beta,23-dimethoxycucurbita-5,24-dien-19-al
Chemical ClassTerpenoids
Molecular Weight500.760
logP5.505
H-Bond Donor1.00
H-Bond Acceptor7
Caco-2 Permeability1824.160
logSwat-5.643
Number of Primary Metabolites7
Polar Surface Area62.487
Rotatable Bonds8
logKhsa1.089
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.537
Blood Brain Barrier (logBB)-0.584
CNS Permeability0
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2201
NPACT   -
TaxKB   -
Structure Download

 






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