COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL035127
Chemical Name: (4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoicacid
Smiles: COc1c(C/C=C(/CCC(=O)O)\C)c(OC)c2c(c1C)COC2=O

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Molecular Weight: 334.37
Empirical Formula: C18H22O6

Physical State: Dry powder
Available Amount: 1010 mg

Lipinsky:
logP: 2.493
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 82
Number of rings: 2

     

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