COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540786
Chemical Name: methyl3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-[4-(methylsulfanyl)phenyl]propanoate
Smiles: COCc1cc(=O)c(c(o1)C(c1ccc(cc1)SC)CC(=O)OC)O

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Molecular Weight: 364.42
Empirical Formula: C18H20O6S

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 2.817
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 107
Number of rings: 2

     

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