Mrv1652306231722472D          

 17 15  0  0  1  0            999 V2000
   -2.9678    0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2533   -0.2221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389    0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8244   -0.2221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1099    0.1904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6046   -0.2221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3190    0.1904    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0335   -0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480    0.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3190    1.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6046   -1.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099    1.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8244   -1.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3408   -0.0000    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
    5.7533   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5158   -0.0000    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  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  6  0  0  0
  6 11  1  1  0  0  0
  5 12  1  1  0  0  0
  4 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <DATABASE_ID>
DB13732

> <DATABASE_NAME>
drugbank

> <SMILES>
O[Sb](=O)=O.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C7H17NO5.H2O.2O.Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;/h4-13H,2-3H2,1H3;1H2;;;/q;;;;+1/p-1/t4-,5+,6+,7+;;;;/m0..../s1

> <INCHI_KEY>
XOGYVDXPYVPAAQ-SESJOKTNSA-M

> <FORMULA>
C7H18NO8Sb

> <MOLECULAR_WEIGHT>
365.98

> <EXACT_MASS>
365.00705

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
19.52428832650866

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; oxostibinic acid

> <ALOGPS_LOGP>
-2.36

> <JCHEM_LOGP>
-3.4043202516666664

> <ALOGPS_LOGS>
0.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.524639684996114

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.649771460982581

> <JCHEM_PKA_STRONGEST_BASIC>
9.113333213275927

> <JCHEM_POLAR_SURFACE_AREA>
113.18

> <JCHEM_REFRACTIVITY>
44.835699999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.40e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-methyl-D(-)-glucamine; oxostibinic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13732

> <DRUG_GROUPS>
experimental; investigational

> <GENERIC_NAME>
Meglumine antimoniate

> <SYNONYMS>
Antimoniato de meglumina; Glucantim; Glucantime; Meglumine antimonate; Meglumine antimoniate

$$$$