D4G
  Mrv0541 02241213322D          

 14 15  0  0  0  0            999 V2000
    1.7862    0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.7905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.4470    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.0345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    1.2720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DB07623

> <DATABASE_NAME>
drugbank

> <SMILES>
S(SC1=CC=NC=C1)C1=CC=NC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H8N2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H

> <INCHI_KEY>
UHBAPGWWRFVTFS-UHFFFAOYSA-N

> <FORMULA>
C10H8N2S2

> <MOLECULAR_WEIGHT>
220.314

> <EXACT_MASS>
220.012889646

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.004906397316513231

> <JCHEM_AVERAGE_POLARIZABILITY>
21.460887988677815

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-(pyridin-4-yldisulfanyl)pyridine

> <ALOGPS_LOGP>
2.16

> <JCHEM_LOGP>
2.1384000966666665

> <ALOGPS_LOGS>
-3.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.595807394753588

> <JCHEM_POLAR_SURFACE_AREA>
25.78

> <JCHEM_REFRACTIVITY>
58.146400000000014

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.92e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB07623

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
4,4'-DIPYRIDYL DISULFIDE

$$$$