COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545179
Chemical Name: 4-[1-(6-hydroxy-1,3-benzodioxol-5-yl)-3-methoxy-3-oxopropyl]benzoicacid
Smiles: COC(=O)CC(c1cc2OCOc2cc1O)c1ccc(cc1)C(=O)O

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Molecular Weight: 344.32
Empirical Formula: C18H16O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.74
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 102
Number of rings: 3

     

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