-ISIS-  08091621332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0625    0.0458    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.0625   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -1.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    0.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5250    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.2792    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  1  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  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
  5  6  1  0  0  0  0
 14 18  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <ID> (BBL000468)
BBL000468

>  <Rotatable_Bonds> (BBL000468)
2

>  <logP> (BBL000468)
0.862

>  <PSA> (BBL000468)
58.64

>  <H_Donors> (BBL000468)
1

>  <H_Acceptors> (BBL000468)
3

>  <Number_of_rings> (BBL000468)
3

>  <NAME> (BBL000468)
3-(tetrahydrofuran-2-ylmethyl)quinazoline-2,4(1H,3H)-dione

>  <Mol_Weight> (BBL000468)
246.27

>  <Mol_Formula> (BBL000468)
C13H14N2O3

>  <Smiles> (BBL000468)
O=c1[nH]c2ccccc2c(=O)n1CC1CCCO1

>  <Alternative_identifier> (BBL000468)
MFCD05025809

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