Mrv1909 04122200102D          

  9  9  0  0  0  0            999 V2000
    5.9370   -0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    2.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    0.8251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514    1.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET03446

> <DATABASE_NAME>
drugbank

> <SMILES>
NC1CCC(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H8N2O2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)

> <INCHI_KEY>
NPWMTBZSRRLQNJ-UHFFFAOYSA-N

> <FORMULA>
C5H8N2O2

> <MOLECULAR_WEIGHT>
128.131

> <EXACT_MASS>
128.058577506

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9999998058406472

> <JCHEM_AVERAGE_POLARIZABILITY>
12.01316697535095

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-aminopiperidine-2,6-dione

> <JCHEM_LOGP>
-1.5268506133333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.622134907298863

> <JCHEM_PKA_STRONGEST_BASIC>
6.71184693973515

> <JCHEM_POLAR_SURFACE_AREA>
72.19

> <JCHEM_REFRACTIVITY>
30.0321

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
3-aminopiperidine-2,6-dione

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBMET03446

> <NAME>
alpha-aminoglutarimide

$$$$