Compound 37
  CheckMol                        TMF02:r0:m0
MF=C15H22O3 MW=250.34
 18 18  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2912    0.7582   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2794    2.2745   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5825    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8737    0.7700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -1.2794   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3288   -1.2794   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1649    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4561    0.7818   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7474    0.0355   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0386    0.7937   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0267    2.3100   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3298    0.0474   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3180    3.0681   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7118    3.0800   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6210    0.8055   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   11.6092    2.3218   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   12.9123    0.0592   -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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12 02  0  1  0  0
 11 13 01  0  1  0  0
 12 14 01  0  1  0  0
 12 15  1  0  0  0  0
 13 16 02  0  1  0  0
 14 17 02  0  1  0  0
 16 18  1  0  0  0  0
 16 17 01  0  1  0  0
M  END

2D Structure

Gemfibrozil

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Chemical Name - Gemfibrozil
Mol Weight - 250.337
Smiles - CC(C)(CCCOc1c(C)ccc(C)c1)C(O)=O

Property Name	Property Value
Mol Name	Gemfibrozil
Molweight	250.337
Monoisotopic Mass	250.156895
Clogp	3.5547
Clogs	-3.244
H Acceptors	3
H Donors	1
Total Surface Area	208.09
Relative Psa	0.17367
Polar Surface Area	46.53
Druglikeness	-6.3142
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.61111
Molecular Flexibility	0.64041
Molecular Complexity	0.59852
Fragments	1
Non H Atoms	18
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	10
Symmetric Atoms	1
Acidic Oxygens	1
Smiles	CC(C)(CCCOc1c(C)ccc(C)c1)C(O)=O
InChIKey	InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
InChI	HEMJJKBWTPKOJG-UHFFFAOYSA-N

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