ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00856
Compound NameMeliastatin 3
Chemical ClassTerpenoids
Molecular Weight516.717
logP4.986
H-Bond Donor2.00
H-Bond Acceptor8
Caco-2 Permeability298.702
logSwat-7.093
Number of Primary Metabolites6
Polar Surface Area108.221
Rotatable Bonds8
logKhsa1.102
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.788
Blood Brain Barrier (logBB)-1.570
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2923
NPACT   -
TaxKB   -
Structure Download

 






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