COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL010317
Chemical Name: 4-{[(9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C

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Molecular Weight: 460.52
Empirical Formula: C25H32O8

Physical State: Dry powder
Available Amount: 1011 mg

Lipinsky:
logP: 2.196
Rotatable bonds: 7
H-donors: 3
H-acceptors: 8
PSA: 138
Number of rings: 4

     

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