ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03269
Compound Name3-O-methylmalonylepiocotillol II
Chemical ClassTerpenoids
Molecular Weight560.813
logP7.295
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability730.284
logSwat-9.344
Number of Primary Metabolites3
Polar Surface Area90.695
Rotatable Bonds5
logKhsa2.151
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.653
Blood Brain Barrier (logBB)-0.960
CNS Permeability-1
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2404
NPACT   -
TaxKB   -
Structure Download

 






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