ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03820
Compound Namemallotojaponol
Chemical ClassSimple aromatic natural products
Molecular Weight478.495
logP3.286
H-Bond Donor3.00
H-Bond Acceptor7
Caco-2 Permeability42.093
logSwat-4.935
Number of Primary Metabolites11
Polar Surface Area182.657
Rotatable Bonds15
logKhsa0.377
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.875
Blood Brain Barrier (logBB)-2.927
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3428
NPACT   -
TaxKB   -
Structure Download

 






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