Mrv1652309122100282D          

 24 25  0  0  0  0            999 V2000
    1.4906   -3.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031   -2.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7101   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3232   -2.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7964   -3.9080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0427   -4.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -5.0505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108   -5.1455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2253   -3.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9398   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -3.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3687   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0832   -3.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7976   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5121   -3.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5121   -3.0830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2266   -4.3205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9803   -3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1518   -3.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5323   -4.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1198   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128   -5.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6997   -5.6930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0259675

> <DATABASE_NAME>
hmdb

> <SMILES>
O=C(CCCCCCC(=O)N1C(=O)CCC1=O)N1C(=O)CCC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H20N2O6/c19-11(17-13(21)7-8-14(17)22)5-3-1-2-4-6-12(20)18-15(23)9-10-16(18)24/h1-10H2

> <INCHI_KEY>
GFTIUQBZNJERFZ-UHFFFAOYSA-N

> <FORMULA>
C16H20N2O6

> <MOLECULAR_WEIGHT>
336.344

> <EXACT_MASS>
336.132136372

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
34.215914853580244

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[8-(2,5-dioxopyrrolidin-1-yl)-8-oxooctanoyl]pyrrolidine-2,5-dione

> <ALOGPS_LOGP>
1.29

> <JCHEM_LOGP>
-0.18324338933333306

> <ALOGPS_LOGS>
-2.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.55225432862355

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.95019434764879

> <JCHEM_POLAR_SURFACE_AREA>
108.9

> <JCHEM_REFRACTIVITY>
80.34819999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.51e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[8-(2,5-dioxopyrrolidin-1-yl)-8-oxooctanoyl]pyrrolidine-2,5-dione

> <JCHEM_VEBER_RULE>
0

> <HMDB_ID>
HMDB0259675

> <GENERIC_NAME>
1,1'-(1,8-Dioxo-1,8-octanediyl)bis-2,5-pyrrolidinedione

$$$$