Mrv0541 02231218142D          

 16 16  0  0  1  0            999 V2000
    2.0322    2.8382    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3376    2.2570    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    3.7935   -1.7575    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
    2.3645   -1.7575    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
    2.5171    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  2  0  0  0  0
  4 14  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  6  0  0  0
  9 11  1  0  0  0  0
 10 12  1  1  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
> <DATABASE_ID>
DB05885

> <DATABASE_NAME>
drugbank

> <SMILES>
CC[C@H](N1C[C@@H](CC1=O)C=C(F)F)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14F2N2O2/c1-2-7(10(13)16)14-5-6(3-8(11)12)4-9(14)15/h3,6-7H,2,4-5H2,1H3,(H2,13,16)/t6-,7+/m1/s1

> <INCHI_KEY>
ANWPENAPCIFDSZ-RQJHMYQMSA-N

> <FORMULA>
C10H14F2N2O2

> <MOLECULAR_WEIGHT>
232.2272

> <EXACT_MASS>
232.102334112

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.3238191871070924e-09

> <JCHEM_AVERAGE_POLARIZABILITY>
21.100561369838935

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanamide

> <ALOGPS_LOGP>
0.51

> <JCHEM_LOGP>
0.09109749533333311

> <ALOGPS_LOGS>
-2.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.362718195065408

> <JCHEM_PKA_STRONGEST_BASIC>
-1.1758745328893783

> <JCHEM_POLAR_SURFACE_AREA>
63.400000000000006

> <JCHEM_REFRACTIVITY>
64.32560000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.02e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB05885

> <SECONDARY_ACCESSION_NUMBERS>
DB12175

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Seletracetam

> <SYNONYMS>
(2S)-2-((4S)-4-(2,2-Difluoroethenyl)-2-oxopyrrolidin-1-yl)butanamide; Seletracetam

$$$$