
  Mrv0541 02231219462D          

  8  8  0  0  0  0            999 V2000
   24.4142  -15.7665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5099  -15.7665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3746  -14.7269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9621  -15.9965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.8596  -14.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5495  -14.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6295  -15.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2946  -15.5115    0.0000 C   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  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB004304

> <DATABASE_NAME>
M2MDB

> <SMILES>
CN1CC(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)

> <INCHI_KEY>
RHYBFKMFHLPQPH-UHFFFAOYSA-N

> <FORMULA>
C4H6N2O2

> <MOLECULAR_WEIGHT>
114.1026

> <EXACT_MASS>
114.042927446

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
10.248660447521676

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-methylimidazolidine-2,4-dione

> <ALOGPS_LOGP>
-1.20

> <JCHEM_LOGP>
-1.2265444019999998

> <ALOGPS_LOGS>
0.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.819921013126056

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.94049778083705

> <JCHEM_PKA_STRONGEST_BASIC>
-8.47878856766443

> <JCHEM_POLAR_SURFACE_AREA>
49.410000000000004

> <JCHEM_REFRACTIVITY>
25.9428

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.65e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-methylhydantoin

> <JCHEM_VEBER_RULE>
0

$$$$
