Mrv1718011011712482D          

 10 10  0  0  0  0            999 V2000
   -0.7812    1.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4957    0.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4957    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7812   -0.3004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667    0.9370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6476   -0.3005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7812    2.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2101   -0.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9246    0.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  5  7  2  0  0  0  0
  1  6  1  0  0  0  0
  5  6  1  0  0  0  0
  1  8  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET01853

> <DATABASE_NAME>
drugbank

> <SMILES>
OCC1=CC(=O)NC(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C5H6N2O3/c8-2-3-1-4(9)7-5(10)6-3/h1,8H,2H2,(H2,6,7,9,10)

> <INCHI_KEY>
JVZRLPFSWSIONO-UHFFFAOYSA-N

> <FORMULA>
C5H6N2O3

> <MOLECULAR_WEIGHT>
142.114

> <EXACT_MASS>
142.037842061

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
12.393915036704948

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

> <ALOGPS_LOGP>
-1.25

> <JCHEM_LOGP>
-1.7001282566666664

> <ALOGPS_LOGS>
-1.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.005154626060936

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.752549254506091

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8827346195625063

> <JCHEM_POLAR_SURFACE_AREA>
78.42999999999999

> <JCHEM_REFRACTIVITY>
33.332100000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.33e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-(hydroxymethyl)-1,3-dihydropyrimidine-2,4-dione

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBMET01853

> <NAME>
6-(hydroxymethyl)uracil

> <UNII>
PNS2EUP1Y2

$$$$