Mrv0541 02231215492D          

 19 23  0  0  0  0            999 V2000
   -0.2858    3.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003    2.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003    1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2858    1.4025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5068    1.9223    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    3.2866    2.6400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7155    2.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7155    1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2866    1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5721    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5721    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8576    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1432    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1432    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287    1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287    2.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8576    1.8150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
  4 17  4  0  0  0  0
 17 18  4  0  0  0  0
  1 18  4  0  0  0  0
 16 19  4  0  0  0  0
  5 19  1  0  0  0  0
 12 19  4  0  0  0  0
M  END
> <DATABASE_ID>
DB01912

> <DATABASE_NAME>
drugbank

> <SMILES>
c1ccn2[Pt]3n4ccccc4-c4cccc(-c2c1)n34

> <INCHI_IDENTIFIER>
InChI=1S/C15H11N3.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;/h1-11H;/q-1;+1/b14-12+;

> <INCHI_KEY>
InChIKey=SHCZSDBLJSVYIT-UNGNXWFZSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
27.76516886594401

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
428.060071816

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C15H11N3Pt

> <JCHEM_GHOSE_FILTER>
1

> <ALOGPS_LOGP>
2.62

> <JCHEM_LOGP>
1.9326999999999996

> <ALOGPS_LOGS>
-2.01

> <JCHEM_MASS>
428.352

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
14.79

> <JCHEM_REFRACTIVITY>
74.9779

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.14e+00 g/l

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB01912

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
2,2':6',2''-Terpyridine Platinum(Ii)

$$$$