COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150143
Chemical Name: methyl4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)C

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Molecular Weight: 426.51
Empirical Formula: C25H30O6

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 4.653
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 100
Number of rings: 3

     

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