Mrv0541 02231216442D          

  5  9  0  0  0  0            999 V2000
    0.8913    0.3126    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1012   -0.2963    0.0000 S   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5696    0.2871    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    0.4648   -0.3218    0.0000 Cu  0  0  2  0  0  0  0  0  0  0  0  0
    0.1624    0.6676    0.0000 Cu  0  0  1  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  1  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
> <DATABASE_ID>
DB03151

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cu]12[S@]34[Cu]5[Cu@]13[Cu@]245

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

> <INCHI_KEY>
InChIKey=IGIWMDIIFLPFOP-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
6.91242231527875

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
283.690475006

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
Cu4S

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2r,4s)-1$l^{4}-thia-2,3,4,5-tetracuprapentacyclo[2.1.0.0^{1,3}.0^{2,4}.0^{2,5}]pentane

> <JCHEM_LOGP>
0.9956999999999999

> <JCHEM_MASS>
286.249

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
5.7558

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2r,4s)-1$l^{4}-thia-2,3,4,5-tetracuprapentacyclo[2.1.0.0^{1,3}.0^{2,4}.0^{2,5}]pentane

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB03151

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
(Mu-4-Sulfido)-Tetra-Nuclear Copper Ion

$$$$