-ISIS-  04031618482D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.8583   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2083    1.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7417   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7417    0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
  3  5  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <ID> (STK004070)
STK004070

>  <Supplier> (STK004070)
VitasMLaboratory, Ltd

>  <collection> (STK004070)
HTS-Compound

>  <Rotatable_Bonds> (STK004070)
0

>  <logP> (STK004070)
-0.951

>  <PSA> (STK004070)
63.58

>  <H_Donors> (STK004070)
1

>  <H_Acceptors> (STK004070)
2

>  <Number_of_rings> (STK004070)
2

>  <NAME> (STK004070)
5-(pyridin-4-yl)-1,3,4-oxadiazol-2(3H)-one

>  <Mol_Weight> (STK004070)
163.14

>  <Mol_Formula> (STK004070)
C7H5N3O2

>  <Smiles> (STK004070)
O=c1[nH]nc(o1)c1ccncc1

$$$$