Mrv1909 11251903172D          

  5  8  0  0  0  0            999 V2000
    0.0109    0.0070    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -0.1904    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    0.1964    0.6566    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1869   -0.6566    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    0.1886    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  3  5  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
> <DATABASE_ID>
DB03151

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cu]12[Cu]3[Cu]4[Cu]1S234

> <INCHI_IDENTIFIER>
InChI=1S/4Cu.S

> <INCHI_KEY>
IGIWMDIIFLPFOP-UHFFFAOYSA-N

> <FORMULA>
Cu4S

> <MOLECULAR_WEIGHT>
286.249

> <EXACT_MASS>
283.690475006

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
10.838300960611534

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1lambda4-thia-2,3,4,5-tetracupratetracyclo[2.1.0.0^{1,3}.0^{2,5}]pentane

> <ALOGPS_LOGP>
-1.15

> <JCHEM_LOGP>
0.9956999999999999

> <ALOGPS_LOGS>
-0.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
5.7558

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.21e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1lambda4-thia-2,3,4,5-tetracupratetracyclo[2.1.0.0^{1,3}.0^{2,5}]pentane

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB03151

> <SECONDARY_ACCESSION_NUMBERS>
EXPT01060

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
mu4-sulfido-quadro-tetracopper

> <SYNONYMS>
μ4-sulfido-quadro-tetracopper

$$$$