RNA
  Mrv0541 02241214072D          

 24 26  0  0  0  0            999 V2000
   -0.0368    3.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6306    3.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3757    2.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4493    2.5296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042    3.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4889    3.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251    1.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2819    0.9369    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3681    0.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0826   -0.2961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0826   -1.1211    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0826   -1.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7971   -2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7971   -3.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0826   -3.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3681   -3.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3681   -2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0826   -4.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076   -1.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2576   -1.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9376    0.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3855   -0.2191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580    0.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8606    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  2  0  0  0  0
  3 24  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
  7 21  1  0  0  0  0
  7 24  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  2  0  0  0  0
 11 20  2  0  0  0  0
 12 17  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
> <DATABASE_ID>
DB08481

> <DATABASE_NAME>
drugbank

> <SMILES>
CC1=CC=C(O1)\C=C1/SC(NS(=O)(=O)C2=CC=C(C)C=C2)=NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9-

> <INCHI_KEY>
InChIKey=MXAPQGDBWFYKKX-ZROIWOOFSA-N

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
35.516170470581145

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
362.039498326

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C16H14N2O4S2

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-methyl-N-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]benzene-1-sulfonamide

> <ALOGPS_LOGP>
2.31

> <JCHEM_LOGP>
2.7819197413333336

> <ALOGPS_LOGS>
-3.92

> <JCHEM_MASS>
362.423

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.977489940591097

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7322553024292233

> <JCHEM_POLAR_SURFACE_AREA>
88.74000000000001

> <JCHEM_REFRACTIVITY>
93.97579999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.35e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-methyl-N-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]benzenesulfonamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08481

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE

$$$$