COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL435964
Chemical Name: 2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-(4-hydroperoxyphenyl)-3,3-dimethoxypropan-1-one
Smiles: COC(C(c1cc(OC)c2c(c1OC)OCO2)C(=O)c1ccc(cc1)OO)OC

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Molecular Weight: 406.39
Empirical Formula: C20H22O9

Available Amount: 0 mg

Lipinsky:
logP: 4.116
Rotatable bonds: 8
H-donors: 1
H-acceptors: 9
PSA: 101
Number of rings: 3

     

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