COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL563356
Chemical Name: 2-butanoyl-3-(ethylsulfanyl)-5,5-dimethylcyclohex-2-en-1-one
Smiles: CCCC(=O)C1=C(SCC)CC(CC1=O)(C)C

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Molecular Weight: 254.39
Empirical Formula: C14H22O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.157
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 59
Number of rings: 1

     

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