ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04122
Compound NameAgastenol
Chemical ClassLignans
Molecular Weight478.498
logP3.986
H-Bond Donor3.00
H-Bond Acceptor7
Caco-2 Permeability117.460
logSwat-6.424
Number of Primary Metabolites9
Polar Surface Area125.283
Rotatable Bonds9
logKhsa0.625
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.712
Blood Brain Barrier (logBB)-2.219
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00220
TaxKB   -
Structure Download

 






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