COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL435976
Chemical Name: 4-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(4-methoxyphenyl)butan-1-one
Smiles: COc1ccc(cc1)C(=O)CC(Cc1ccc2c(c1)OCO2)O

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Molecular Weight: 314.34
Empirical Formula: C18H18O5

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 2.945
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 64
Number of rings: 3

     

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