Mrv1909 12031917592D          

 15 12  0  0  0  0            999 V2000
   -0.2062   -2.3646    0.0000 Zr  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.6501    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.6501    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2376   -0.3019    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.2376   -0.3019    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.3646    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5395    1.6501    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.3019    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.3019    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.3646    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5395    1.6501    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
M  CHG  8   5   1   6   1  10  -1  11  -1  12  -1  13  -1  14  -1  15  -1
M  END
> <DATABASE_ID>
DB14048

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].[Na+].[Zr].[O-][Si]1([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O1

> <INCHI_IDENTIFIER>
InChI=1S/2Na.O9Si3.Zr/c;;1-10(2)7-11(3,4)9-12(5,6)8-10;/q2*+1;-6;

> <INCHI_KEY>
ARVUQMBOTBOHPL-UHFFFAOYSA-N

> <FORMULA>
Na2O9Si3Zr

> <MOLECULAR_WEIGHT>
365.452

> <EXACT_MASS>
363.77144

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
12.772718767279345

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-4

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium 1,3,5,2,4,6-trioxatrisilinane-2,2,4,4,6,6-hexakis(olate) zirconium

> <JCHEM_LOGP>
-3.771599999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.504067463118312

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.972877431918613

> <JCHEM_PKA_STRONGEST_BASIC>
-4.420901155531961

> <JCHEM_POLAR_SURFACE_AREA>
166.05

> <JCHEM_REFRACTIVITY>
12.708

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
topramezone

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14048

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Sodium zirconium cyclosilicate

> <SYNONYMS>
Sodium zirconium cyclosilicate; Sodium zirconium silicate

> <PRODUCTS>
Lokelma

$$$$