COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK005358
Chemical Name: 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propyl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: OCC(C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C)O

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Molecular Weight: 352.43
Empirical Formula: C19H28O6

Physical State: Dry powder
Available Amount: 197 mg

Lipinsky:
logP: 1.414
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 111
Number of rings: 2

     

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