Mrv1652306231722412D          

 26 29  0  0  0  0            999 V2000
    2.2413    2.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9557    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9557    1.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2413    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5268    1.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5268    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2413    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4163    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1788   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2337    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1788    1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038    1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    0.2893    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0663    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788    1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3038    1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7163    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3038   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3072   -1.2322    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2413   -0.5357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738   -1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8288   -1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -1.8053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9087   -1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  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
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 22 26  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13425

> <DATABASE_NAME>
drugbank

> <SMILES>
FC1=CC=C(C=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1F

> <INCHI_IDENTIFIER>
InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H

> <INCHI_KEY>
QHMWCHQXCUNUAK-UHFFFAOYSA-N

> <FORMULA>
C22H16F2N2

> <MOLECULAR_WEIGHT>
346.381

> <EXACT_MASS>
346.128154849

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
34.59153802306549

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[(2-fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole

> <ALOGPS_LOGP>
4.73

> <JCHEM_LOGP>
5.520810867

> <ALOGPS_LOGS>
-5.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.623542222318094

> <JCHEM_POLAR_SURFACE_AREA>
17.82

> <JCHEM_REFRACTIVITY>
99.3925

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.94e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
flutrimazole

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB13425

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Flutrimazole

> <SYNONYMS>
flutrimazol; Flutrimazole

$$$$