ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04534
Compound NameMeliatoxin B1
Chemical ClassTerpenoids
Molecular Weight658.741
logP2.457
H-Bond Donor2.00
H-Bond Acceptor16
Caco-2 Permeability76.814
logSwat-4.550
Number of Primary Metabolites8
Polar Surface Area194.663
Rotatable Bonds7
logKhsa0.087
Number of Reactive Functional Groups6
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.462
Blood Brain Barrier (logBB)-1.906
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00765
TaxKB   -
Structure Download

 






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