Mrv1909 12032015492D          

 18 19  0  0  0  0            999 V2000
    1.5827   -0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4031   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5748   -1.0102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8601   -1.4227    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470   -0.8706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    1.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7176    1.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1303    0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7176   -0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926   -0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4800    0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9553    0.5977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450    0.5977    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450   -0.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450    1.4227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701    0.5977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9554    0.4099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7003    1.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
  8 12  1  0  0  0  0
  1  2  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
  2  3  2  0  0  0  0
 13 15  2  0  0  0  0
  3  4  1  0  0  0  0
 13 16  1  0  0  0  0
 16  1  1  0  0  0  0
  4  5  1  0  0  0  0
  2 17  1  0  0  0  0
  5  1  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <DATABASE_ID>
DB15975

> <DATABASE_NAME>
drugbank

> <SMILES>
COC1=NSN=C1NS(=O)(=O)C1=CC=C(N)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H10N4O3S2/c1-16-9-8(11-17-12-9)13-18(14,15)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H,11,13)

> <INCHI_KEY>
IZOYMGQQVNAMHS-UHFFFAOYSA-N

> <FORMULA>
C9H10N4O3S2

> <MOLECULAR_WEIGHT>
286.32

> <EXACT_MASS>
286.019432546

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.9686434549128315

> <JCHEM_AVERAGE_POLARIZABILITY>
26.359044264787684

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-amino-N-(4-methoxy-1,2,5-thiadiazol-3-yl)benzene-1-sulfonamide

> <ALOGPS_LOGP>
1.04

> <JCHEM_LOGP>
1.0456805780000002

> <ALOGPS_LOGS>
-2.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.510200952247038

> <JCHEM_PKA_STRONGEST_BASIC>
1.8955535538903032

> <JCHEM_POLAR_SURFACE_AREA>
107.2

> <JCHEM_REFRACTIVITY>
69.45700000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.57e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
oxedrine tartrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB15975

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Sulfametrole

> <SYNONYMS>
Sulfametrole

$$$$