ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00758
Compound Name3alpha-Hydroxy-21alpha-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
Chemical ClassOrganic Chemicals
Molecular Weight430.626
logP4.216
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability931.079
logSwat-5.929
Number of Primary Metabolites4
Polar Surface Area68.596
Rotatable Bonds2
logKhsa0.896
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.838
Blood Brain Barrier (logBB)-0.531
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2437
NPACT   -
TaxKB   -
Structure Download

 






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