4843
  -OEChem-01292011453D

 20 20  0     0  0  0  0  0  0999 V2000
   -0.9783   -2.0049    0.3757 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567   -0.5514   -1.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3184    0.2542    0.4253 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2603    0.4805    0.1697 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8520    1.5146   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3354    1.2329   -0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3972   -0.2503   -0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1692   -0.8170    0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192    0.1496    0.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142   -0.0082   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3953    1.7551   -0.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6465    2.3109    0.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8245    1.8658   -0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8317    1.4028    0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3132   -0.4139   -1.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3067   -0.7198   -0.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2299    1.0330    1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0836   -0.7458    1.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0307    0.4279   -0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4587    0.9080    1.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09210

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

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

> <SMILES>
NC(=O)CN1CCCC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)

> <INCHI_KEY>
GMZVRMREEHBGGF-UHFFFAOYSA-N

> <FORMULA>
C6H10N2O2

> <MOLECULAR_WEIGHT>
142.1558

> <EXACT_MASS>
142.074227574

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.010492983722142881

> <JCHEM_AVERAGE_POLARIZABILITY>
13.958479593517573

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2-oxopyrrolidin-1-yl)acetamide

> <ALOGPS_LOGP>
-1.58

> <JCHEM_LOGP>
-1.6848925380000002

> <ALOGPS_LOGS>
0.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.934726694050129

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9726546753523186

> <JCHEM_POLAR_SURFACE_AREA>
63.400000000000006

> <JCHEM_REFRACTIVITY>
35.0614

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.79e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fidaxomicin

> <JCHEM_VEBER_RULE>
0

$$$$