COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL321672
Chemical Name: methyl{4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]phenoxy}acetate
Smiles: COC(=O)COc1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)C

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Molecular Weight: 456.54
Empirical Formula: C26H32O7

Physical State: Dry powder
Available Amount: 83 mg

Lipinsky:
logP: 3.866
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 110
Number of rings: 3

     

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