ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01012
Compound Name2(R)-hydroxybutanedioic acid 1-methyl ester
Chemical ClassAliphatic natural products
Molecular Weight148.115
logP-0.270
H-Bond Donor1.00
H-Bond Acceptor5
Caco-2 Permeability22.599
logSwat-0.586
Number of Primary Metabolites2
Polar Surface Area108.247
Rotatable Bonds4
logKhsa-1.052
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-1.185
Blood Brain Barrier (logBB)-1.415
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00060
TaxKB   -
Structure Download

 






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