55262
  -OEChem-05092311263D

 29 30  0     1  0  0  0  0  0999 V2000
    0.7673    0.6522    0.9755 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5009    3.3077    0.5168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7521   -2.5550    0.5056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1789    0.3963   -0.3838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2121   -0.3056    0.1768 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1009   -1.1787    0.0689 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4572   -1.0839    0.0618 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3319   -1.0786   -0.0636 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4638   -0.9958   -0.1782 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.3016   -0.1746   -0.6449 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9334   -0.7442   -0.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1933   -0.5121    0.3674 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9959    0.9807    0.3000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7890    2.2993   -0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1072   -1.3990    0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6977    0.9691   -0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9874    1.2539   -0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9854    0.1682   -0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8139    0.1394   -1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4719   -0.1792   -1.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9378   -1.7994   -1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590   -1.3522    1.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7633    1.1137    1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9659    2.2593   -1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6974    2.5895   -0.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800    1.7744   -0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7081    3.0323    1.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1168   -1.8547    0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3273    2.2598   -0.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 27  1  0  0  0  0
  3 15  2  0  0  0  0
  4 18  2  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 18  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
> <DATABASE_ID>
DB17759

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZSNNBSPEFVIUDS-SHYZEUOFSA-N/SDF?record_type=3d

> <SMILES>
OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])N1C=CC(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H11N5O4/c10-13-12-5-3-8(18-6(5)4-15)14-2-1-7(16)11-9(14)17/h1-2,5-6,8,15H,3-4H2,(H,11,16,17)/t5-,6-,8-/m1/s1

> <INCHI_KEY>
ZSNNBSPEFVIUDS-SHYZEUOFSA-N

> <FORMULA>
C9H11N5O4

> <MOLECULAR_WEIGHT>
253.218

> <EXACT_MASS>
253.081103854

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.13467912140173266

> <JCHEM_AVERAGE_POLARIZABILITY>
22.83298835067491

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

> <JCHEM_LOGP>
-0.6942596476666661

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
108.30000000000001

> <JCHEM_REFRACTIVITY>
57.34739999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
navuridine

> <JCHEM_VEBER_RULE>
0

$$$$