703
  Mrv0541 02231214562D          

 14 14  0  0  0  0            999 V2000
    2.6437    0.8136    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9537    0.1462    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9763    0.3287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111    1.2986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4348    0.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5412   -1.1234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8737   -0.6385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1588    1.4811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932   -0.8934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1287    0.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086   -0.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5412   -1.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6064   -0.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3910   -0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00703

> <DATABASE_NAME>
drugbank

> <SMILES>
CN1N=C(S\C1=N/C(C)=O)S(N)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-

> <INCHI_KEY>
InChIKey=FLOSMHQXBMRNHR-DAXSKMNVSA-N

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
21.17002056557853

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
236.003781522

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C5H8N4O3S2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2Z)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]acetamide

> <ALOGPS_LOGP>
-0.20

> <JCHEM_LOGP>
-0.593433132

> <ALOGPS_LOGS>
-2.13

> <JCHEM_MASS>
236.272

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.433883629944784

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.058321873803521

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6404575283873846

> <JCHEM_POLAR_SURFACE_AREA>
105.19

> <JCHEM_REFRACTIVITY>
51.29709999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.74e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methazolamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00703

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Methazolamide

> <SYNONYMS>
Metazolamida; Methazolamid; Méthazolamide; Methazolamidum

> <BRANDS>
Methazolamide; Naptazane; Neptazane

$$$$