ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03123
Compound Name(-)-(R)-13aalpha-6-O-desmethylsecoantofine
Chemical ClassAlkaloids
Molecular Weight351.444
logP3.958
H-Bond Donor1.00
H-Bond Acceptor4
Caco-2 Permeability766.035
logSwat-4.346
Number of Primary Metabolites5
Polar Surface Area43.223
Rotatable Bonds3
logKhsa0.766
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines1
Number of Acids0
loghERG-5.586
Blood Brain Barrier (logBB)0.283
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2169
NPACT   -
TaxKB   -
Structure Download

 






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