COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512499
Chemical Name: 3-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-hydroxy-6-methyl-2H-pyran-2-one
Smiles: Cc1cc(O)c(c(=O)o1)C(=O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 300.27
Empirical Formula: C16H12O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.511
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 82
Number of rings: 3

     

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