COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK932775
Chemical Name: (3E)-3-(3,3-dimethyl-2-oxobutylidene)-6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Smiles: CCS(=O)(=O)c1ccc2c(c1)[nH]/c(=C/C(=O)C(C)(C)C)/c(=O)o2

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Molecular Weight: 337.4
Empirical Formula: C16H19NO5S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 0.114
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 2

     

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