5284583
  -OEChem-10051719313D

 26 26  0     1  0  0  0  0  0999 V2000
   -1.6080    0.0129   -1.9613 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8869   -0.7536    0.5572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4043    0.0188    0.0618 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3881   -2.0416   -0.6127 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6702   -0.3064    1.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9318    0.3256   -0.4010 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1787   -0.1961    1.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -0.5715    0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5260   -0.1295   -0.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522    1.6489    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8419   -0.8530   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5481    2.8456   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9016    0.4157   -1.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1716    0.3866    2.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3353   -1.3296    1.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4614    0.8421    1.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6038   -0.8294    2.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5898   -0.0575   -0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883   -1.6538    0.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4413    1.8548   -0.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6074    1.5683    1.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3684    2.9618   -1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176    2.7413    0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0184    3.7635    0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5273   -2.1033   -1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9063   -2.9039   -0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <DATABASE_ID>
DB01202

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

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

> <SMILES>
CC[C@H](N1CCCC1=O)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1

> <INCHI_KEY>
HPHUVLMMVZITSG-LURJTMIESA-N

> <FORMULA>
C8H14N2O2

> <MOLECULAR_WEIGHT>
170.212

> <EXACT_MASS>
170.105527699

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.794020666665045

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-(2-oxopyrrolidin-1-yl)butanamide

> <ALOGPS_LOGP>
-0.64

> <JCHEM_LOGP>
-0.5936059006666665

> <ALOGPS_LOGS>
0.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.08866335264141

> <JCHEM_PKA_STRONGEST_BASIC>
-1.5563529151976954

> <JCHEM_POLAR_SURFACE_AREA>
63.4

> <JCHEM_REFRACTIVITY>
44.0793

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.98e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
levetiracetam

> <JCHEM_VEBER_RULE>
0

$$$$