ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00119
Compound Name1,6alpha-dihydroxy-4alphaH-1,10-secoeudesma-5(10),11(13)-dien-12,8beta-olide
Chemical ClassAlkaloids
Molecular Weight266.336
logP1.225
H-Bond Donor2.00
H-Bond Acceptor6
Caco-2 Permeability623.042
logSwat-1.824
Number of Primary Metabolites6
Polar Surface Area80.203
Rotatable Bonds7
logKhsa-0.417
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-2.815
Blood Brain Barrier (logBB)-0.843
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0387
NPACT   -
TaxKB   -
Structure Download

 






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