COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK256370
Chemical Name: 3-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-benzofuran-1(3H)-one
Smiles: NC1=C(C(=O)CC(C1)(C)C)C1OC(=O)c2c1cccc2

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Molecular Weight: 271.32
Empirical Formula: C16H17NO3

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.297
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 69
Number of rings: 3

     

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