Mrv1909 11011921082D          

 10 10  0  0  0  0            999 V2000
    0.9803   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844    0.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0559    1.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5677    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0996    0.6293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8405    1.9463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5677    1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
M  END
> <DATABASE_ID>
DBMET02865

> <DATABASE_NAME>
drugbank

> <SMILES>
OCCN1C(=O)CCC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H9NO3/c8-4-3-7-5(9)1-2-6(7)10/h8H,1-4H2

> <INCHI_KEY>
TWYIPMITVXPNEM-UHFFFAOYSA-N

> <FORMULA>
C6H9NO3

> <MOLECULAR_WEIGHT>
143.142

> <EXACT_MASS>
143.058243154

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
13.68898772416124

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(2-hydroxyethyl)pyrrolidine-2,5-dione

> <ALOGPS_LOGP>
-1.18

> <JCHEM_LOGP>
-1.4598975073333333

> <ALOGPS_LOGS>
0.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.554712052698811

> <JCHEM_PKA_STRONGEST_BASIC>
-2.5561689481495398

> <JCHEM_POLAR_SURFACE_AREA>
57.61

> <JCHEM_REFRACTIVITY>
33.4704

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.15e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(2-hydroxyethyl)pyrrolidine-2,5-dione

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBMET02865

> <NAME>
2-hydroxyethyl succinimide

> <UNII>
PL9EH675ZV

$$$$