COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL443583
Chemical Name: 2-methyl-3-(1-phenylethyl)butanedioicacid
Smiles: CC(C(C(C(=O)O)C)C(=O)O)c1ccccc1

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Molecular Weight: 236.27
Empirical Formula: C13H16O4

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: 2.294
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 74
Number of rings: 1

     

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