-ISIS-  08091621332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.4333   -0.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4458    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583   -0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  8  2  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
  6  5  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <ID> (BBL000105)
BBL000105

>  <Rotatable_Bonds> (BBL000105)
3

>  <logP> (BBL000105)
0.726

>  <PSA> (BBL000105)
69.97

>  <H_Donors> (BBL000105)
1

>  <H_Acceptors> (BBL000105)
3

>  <Number_of_rings> (BBL000105)
2

>  <NAME> (BBL000105)
(2-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid

>  <Mol_Weight> (BBL000105)
218.21

>  <Mol_Formula> (BBL000105)
C11H10N2O3

>  <Smiles> (BBL000105)
OC(=O)Cn1c(C)nc2c(c1=O)cccc2

>  <Alternative_identifier> (BBL000105)
MFCD00197325

$$$$