COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040806
Chemical Name: diethyl2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Smiles: CCOC(=O)C1C(=O)CC(C(C1c1ccc2c(c1)OCO2)C(=O)OCC)(C)O

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Molecular Weight: 392.41
Empirical Formula: C20H24O8

Physical State: Dry powder
Available Amount: 551 mg

Lipinsky:
logP: 2.775
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 108
Number of rings: 3

     

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