Mrv2304 12142316562D          

 24 26  0  0  0  0            999 V2000
    0.3187    3.1132    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5638   -3.0492    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3486   -0.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1438    3.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5062    3.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4762   -3.6785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3187    3.9383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1036   -4.2054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3646   -4.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3187    0.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3187    2.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3187   -0.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3957    1.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0332    1.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3957    1.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0332    1.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0937   -1.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -0.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7313   -1.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5786   -2.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2431   -2.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0332    4.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6556   -3.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -3.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 21  1  0  0  0  0
  2 24  1  0  0  0  0
  3 12  1  0  0  0  0
  3 17  1  0  0  0  0
  6 23  2  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 24  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
DB07533

> <DATABASE_NAME>
drugbank

> <SMILES>
CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H13N3O4S2/c1-17-24(20,21)11-5-2-9(3-6-11)12-7-4-10(22-12)8-13-14(19)18-15(16)23-13/h2-8,17H,1H3,(H2,16,18,19)/b13-8-

> <INCHI_KEY>
FJJJERLTHDXEPT-JYRVWZFOSA-N

> <FORMULA>
C15H13N3O4S2

> <MOLECULAR_WEIGHT>
363.411

> <EXACT_MASS>
363.034747299

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9682466493257011

> <JCHEM_AVERAGE_POLARIZABILITY>
36.29851589797481

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-N-methylbenzene-1-sulfonamide

> <JCHEM_LOGP>
1.3198004533333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.906129797124615

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.937474624439673

> <JCHEM_PKA_STRONGEST_BASIC>
1.4802978020514053

> <JCHEM_POLAR_SURFACE_AREA>
112.25999999999999

> <JCHEM_REFRACTIVITY>
103.15220000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-N-methylbenzenesulfonamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB07533

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]-2-Furyl}-N-Methylbenzenesulfonamide

$$$$