Mrv1652306131722042D          

 11  8  0  0  0  0            999 V2000
    0.4812   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    0.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813    0.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7563    0.1191    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3062   -0.5954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9009   -0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7259   -0.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884   -0.8574    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6634    0.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5813    0.1191    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  CHG  3   4  -1   9  -1  11   2
M  END
> <DATABASE_ID>
DB11189

> <DATABASE_NAME>
drugbank

> <SMILES>
[Mg++].NCC([O-])=O.NCC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2C2H5NO2.Mg/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2

> <INCHI_KEY>
AACACXATQSKRQG-UHFFFAOYSA-L

> <FORMULA>
C4H8MgN2O4

> <MOLECULAR_WEIGHT>
172.423

> <EXACT_MASS>
172.03344845

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
6.245807163205068

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) ion bis(2-aminoacetate)

> <ALOGPS_LOGP>
-1.48

> <JCHEM_LOGP>
-3.409459573132419

> <ALOGPS_LOGS>
-0.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.3074568824727404

> <JCHEM_PKA_STRONGEST_BASIC>
9.240341660583645

> <JCHEM_POLAR_SURFACE_AREA>
66.14999999999999

> <JCHEM_REFRACTIVITY>
26.840500000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.36e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) ion diaminoacetate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11189

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Magnesium glycinate

> <SYNONYMS>
Magnesium glycinate

> <PRODUCTS>
Puralor; Remedient

$$$$