Mrv1533005111518282D          

 18 19  0  0  0  0            999 V2000
   -4.3973   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9848   -1.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3973   -2.6664    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722   -2.6664    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  6  2  1  0  0  0  0
  3  2  1  0  0  0  0
  7  4  1  0  0  0  0
  5  4  1  0  0  0  0
  8  5  1  0  0  0  0
 12  5  2  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 14  9  1  0  0  0  0
 13 10  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09064

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(C)(OC1=CC=C(C=C1)C1CC1(Cl)Cl)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)

> <INCHI_KEY>
KPSRODZRAIWAKH-UHFFFAOYSA-N

> <FORMULA>
C13H14Cl2O3

> <MOLECULAR_WEIGHT>
289.15

> <EXACT_MASS>
288.0319997

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
28.079393356983008

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid

> <ALOGPS_LOGP>
3.97

> <JCHEM_LOGP>
3.6223862579999997

> <ALOGPS_LOGS>
-4.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.687365803229848

> <JCHEM_PKA_STRONGEST_BASIC>
-4.914740447164342

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
70.50220000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.79e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ciprofibrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09064

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Ciprofibrate

> <SYNONYMS>
Ciprofibrate; ciprofibrato

$$$$