Mrv0541 02231218132D          

 15 15  0  0  1  0            999 V2000
    4.5311   -0.2899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.5199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.5825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666    0.7496    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4115   -0.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    0.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1816    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7465   -0.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5171    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0322    2.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -2.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  6  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  1  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <DATABASE_ID>
DB05541

> <DATABASE_NAME>
drugbank

> <SMILES>
CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1

> <INCHI_KEY>
MSYKRHVOOPPJKU-BDAKNGLRSA-N

> <FORMULA>
C11H20N2O2

> <MOLECULAR_WEIGHT>
212.2887

> <EXACT_MASS>
212.152477894

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
7.131473981356663e-09

> <JCHEM_AVERAGE_POLARIZABILITY>
23.765162876699897

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanamide

> <ALOGPS_LOGP>
0.86

> <JCHEM_LOGP>
0.6605042556666665

> <ALOGPS_LOGS>
-0.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.29419138375923

> <JCHEM_PKA_STRONGEST_BASIC>
-1.1164713804223247

> <JCHEM_POLAR_SURFACE_AREA>
63.400000000000006

> <JCHEM_REFRACTIVITY>
57.752900000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.68e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB05541

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Brivaracetam

> <SYNONYMS>
Brivaracetam

> <PRODUCTS>
Briviact; Brivlera

> <INTERNATIONAL_BRANDS>
Rikelta

$$$$