Mrv1909 02112116332D          

 16 15  0  0  0  0            999 V2000
   -2.4915    0.4800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6741    0.4800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1042    1.2114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2229    0.0067    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9426    0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9974   -0.4235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6531    0.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7926   -0.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5781    0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739    0.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5781   -0.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2823    0.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    1.1492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1697    0.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2823   -1.2114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9974    0.0137    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  1  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  1  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000781

> <DATABASE_NAME>
drugbank

> <SMILES>
C[C@@H]1O[C@@H]1P(O)(O)=O.NC(CO)(CO)CO

> <INCHI_IDENTIFIER>
InChI=1S/C4H11NO3.C3H7O4P/c5-4(1-6,2-7)3-8;1-2-3(7-2)8(4,5)6/h6-8H,1-3,5H2;2-3H,1H3,(H2,4,5,6)/t;2-,3+/m.0/s1

> <INCHI_KEY>
QZJIMDIBFFHQDW-LMLSDSMGSA-N

> <FORMULA>
C7H18NO7P

> <MOLECULAR_WEIGHT>
259.1941

> <EXACT_MASS>
259.082088447

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.2320290852372056

> <JCHEM_AVERAGE_POLARIZABILITY>
10.802785489012516

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-2-(hydroxymethyl)propane-1,3-diol; [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid

> <JCHEM_LOGP>
-0.7377748799999998

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.82082800096408

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2504967658604225

> <JCHEM_PKA_STRONGEST_BASIC>
-4.306369310142532

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
25.8737

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium dexamethasone phosphate(2-)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT000781

> <NAME>
Fosfomycin tromethamine

> <DRUG_DRUGBANK_ID>
DB00828

> <DRUG_NAME>
Fosfomycin

> <CAS_NUMBER>
78964-85-9

> <UNII>
7FXW6U30GY

$$$$