ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02850
Compound NameButyrylmallotojaponin
Chemical ClassSimple aromatic natural products
Molecular Weight472.534
logP5.445
H-Bond Donor1.00
H-Bond Acceptor5
Caco-2 Permeability193.166
logSwat-6.536
Number of Primary Metabolites12
Polar Surface Area143.426
Rotatable Bonds14
logKhsa1.151
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.935
Blood Brain Barrier (logBB)-2.152
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1715
NPACT   -
TaxKB   -
Structure Download

 






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