COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150140
Chemical Name: 2,2'-[(4-nitrophenyl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Smiles: OC1=C(C(=O)CC(C1)(C)C)C(C1=C(O)CC(CC1=O)(C)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 413.47
Empirical Formula: C23H27NO6

Available Amount: 0 mg

Lipinsky:
logP: 4.405
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 120
Number of rings: 3

     

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