Mrv1652304032018422D          

 16 16  0  0  0  0            999 V2000
   -3.2588    3.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5443    4.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8298    3.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154    4.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4962    3.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0482    4.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7425    4.3332    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4009    3.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3136    4.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8287    5.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0280    3.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4009    3.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3136    5.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    5.7057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6357    5.3252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857    3.5094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
  7 11  1  6  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15  6  1  0  0  0  0
 15 10  1  0  0  0  0
  7 16  1  1  0  0  0
M  END
> <DATABASE_ID>
BMDB0062197

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@@]1(CCOC1=O)NC(=O)C(=O)CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C10H15NO4/c1-2-3-4-8(12)9(13)11-7-5-6-15-10(7)14/h7H,2-6H2,1H3,(H,11,13)/t7-/m0/s1

> <INCHI_KEY>
HXDSMMVKIYAMIA-ZETCQYMHSA-N

> <FORMULA>
C10H15NO4

> <MOLECULAR_WEIGHT>
213.2304

> <EXACT_MASS>
213.100107973

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
21.732077017803608

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide

> <ALOGPS_LOGP>
0.51

> <JCHEM_LOGP>
0.7965490299999998

> <ALOGPS_LOGS>
-1.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.614153596721712

> <JCHEM_PKA_STRONGEST_BASIC>
-3.227629757464871

> <JCHEM_POLAR_SURFACE_AREA>
72.47

> <JCHEM_REFRACTIVITY>
52.03290000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.32e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0062197

> <GENERIC_NAME>
N-(2-Oxohexanoyl)homoserine lactone

$$$$