Mrv0541 02231216212D          

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M  CHG  1  46   2
M  END
> <DATABASE_ID>
DB02653

> <DATABASE_NAME>
drugbank

> <SMILES>
Cc1ccn2c(c1)-c1cc(CC3=C(F)C(F)=C(C(F)=C3F)C3=C(F)C(F)=C(N[C@H]4[C@H]5C[C@@H]6C[C@@H](C[C@H]4C6)C5)C(F)=C3F)ccn1[Ru++]2123N4C=CC=CC4=C4C=CC=CN14.C1=CN2C(C=C1)=C1C=CC=CN31

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
94.58125301005546

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
1043.249569554

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_FORMULA>
C54H43F8N7Ru

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_LOGP>
12.585899999999999

> <JCHEM_MASS>
1043.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
14

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.418142272777569

> <JCHEM_PKA_STRONGEST_BASIC>
6.547309546063266

> <JCHEM_POLAR_SURFACE_AREA>
34.85000000000001

> <JCHEM_REFRACTIVITY>
265.1276

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB02653

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Delta-Bis(2,2'-Bipyridine)-(5-Methyl-2-2'-Bipyridine)-C2-Adamantane Ruthenium (Ii)

$$$$