Mrv1909 11211903132D          

 12 12  0  0  0  0            999 V2000
   -0.7029    1.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7029    0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0116    0.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0116   -0.3964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241   -1.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4008   -1.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4404   -0.6264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7260    0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4404    0.4285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7260    1.6660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <DATABASE_ID>
DB11868

> <DATABASE_NAME>
drugbank

> <SMILES>
CCC(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)

> <INCHI_KEY>
HPHUVLMMVZITSG-UHFFFAOYSA-N

> <FORMULA>
C8H14N2O2

> <MOLECULAR_WEIGHT>
170.212

> <EXACT_MASS>
170.105527699

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.829087177787006

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
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>
-1.5563529151976938

> <JCHEM_POLAR_SURFACE_AREA>
63.4

> <JCHEM_REFRACTIVITY>
44.07930000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.98e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-{[2-amino-2-({2-carboxy-1-[(1-carboxy-2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)ethyl]carbamoyl}-2-[(4-{[(4-oxo-1H-pteridin-6-yl)methyl]amino}phenyl)formamido]butanoic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11868

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Etiracetam

> <SYNONYMS>
Etiracetam; étiracétam; Etiracetamum

$$$$