COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL328687
Chemical Name: methyl3-butanoyl-4-(ethylsulfanyl)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Smiles: CCCC(=O)C1=C(SCC)CC(C(C1=O)C(=O)OC)(C)C

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Molecular Weight: 312.43
Empirical Formula: C16H24O4S

Available Amount: 0 mg

Lipinsky:
logP: 3.351
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 85
Number of rings: 1

     

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