Mrv1909 12031923132D          

 11 11  0  0  0  0            999 V2000
    0.0115   -0.0627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6789   -0.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558   -0.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0115    0.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240   -1.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4009   -1.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4405   -0.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7260    1.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089   -1.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7260    1.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405    0.7622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13601

> <DATABASE_NAME>
drugbank

> <SMILES>
NC(=O)CN1CC(O)CC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)

> <INCHI_KEY>
IHLAQQPQKRMGSS-UHFFFAOYSA-N

> <FORMULA>
C6H10N2O3

> <MOLECULAR_WEIGHT>
158.157

> <EXACT_MASS>
158.06914219

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
14.76342345321834

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide

> <ALOGPS_LOGP>
-2.16

> <JCHEM_LOGP>
-2.6038886850000003

> <ALOGPS_LOGS>
0.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.910173779608991

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.608332021307978

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7646028942735708

> <JCHEM_POLAR_SURFACE_AREA>
83.63000000000001

> <JCHEM_REFRACTIVITY>
36.2689

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.77e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-amino-4-[(2-ethanimidamidoethyl)sulfanyl]butanoic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13601

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Oxiracetam

> <SYNONYMS>
Oxiracetam; Oxiracetamum

$$$$