ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00365
Compound NameOchraceolide E
Chemical ClassTerpenoids
Molecular Weight468.675
logP4.222
H-Bond Donor1.00
H-Bond Acceptor7
Caco-2 Permeability457.324
logSwat-5.710
Number of Primary Metabolites3
Polar Surface Area86.017
Rotatable Bonds3
logKhsa0.945
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.595
Blood Brain Barrier (logBB)-0.830
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0983
NPACT   -
TaxKB   -
Structure Download

 






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