COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021957
Chemical Name: dimethyl2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Smiles: COC(=O)C1C(=O)CC(C(C1c1ccc2c(c1)OCO2)C(=O)OC)(C)O

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Molecular Weight: 364.35
Empirical Formula: C18H20O8

Physical State: Dry powder
Available Amount: 600 mg

Lipinsky:
logP: 1.712
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 108
Number of rings: 3

     

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