COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK777839
Chemical Name: dimethyl2-(1,3-benzodioxol-5-yl)-4-oxocyclohexane-1,1-dicarboxylate
Smiles: COC(=O)C1(CCC(=O)CC1c1ccc2c(c1)OCO2)C(=O)OC

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Molecular Weight: 334.33
Empirical Formula: C17H18O7

Physical State: Dry powder
Available Amount: 17 mg

Lipinsky:
logP: 2.156
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 88
Number of rings: 3

     

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