ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03350
Compound NameAECHL-1
Chemical ClassTerpenoids
Molecular Weight544.597
logP3.407
H-Bond Donor3.00
H-Bond Acceptor10
Caco-2 Permeability503.517
logSwat-4.106
Number of Primary Metabolites9
Polar Surface Area136.124
Rotatable Bonds10
logKhsa0.321
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.774
Blood Brain Barrier (logBB)-1.213
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2553
NPACT   -
TaxKB   -
Structure Download

 






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