Compound 78
  CheckMol                        TMF02:r0:m0
MF=C24H21F2NO3 MW=409.43
 30 33  0  4  1               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860    0.7551   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2742    2.2652   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5720    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5602    3.0203   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8579    0.7669   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8461    2.2770   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1321    3.0321   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5715    2.6545   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5096    4.4950   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3029    1.3686   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9490    4.1175   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7546    5.8046   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.2350    4.8726   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    7.1142   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.2444    5.8164   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.5210    4.1411   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7428    8.4237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4894    7.1260   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.8069    4.8962   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2326    8.4355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   12.0929    4.1647   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7951    6.4063   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4776    9.7451   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0811    7.1614   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.4856    7.1614   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   12.0693    8.6715   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.4738    8.6715   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.7597    9.4266   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.7479   10.9367   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9  1  0  1  0  0
  8 10  1  0  1  0  0
  9 11  2  0  0  0  0
  9 12  1  0  1  0  0
 10 13  1  6  0  0  0
 12 14  1  1  0  0  0
 13 15 02  0  1  0  0
 13 16 01  0  1  0  0
 14 17  1  0  0  0  0
 15 18 01  0  1  0  0
 16 19 02  0  1  0  0
 17 20  1  0  0  0  0
 18 21 02  0  1  0  0
 20 22  1  1  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25 02  0  1  0  0
 23 26 01  0  1  0  0
 25 27 01  0  1  0  0
 26 28 02  0  1  0  0
 27 29 02  0  1  0  0
 29 30  1  0  0  0  0
  6  7 01  0  1  0  0
 10 12  1  0  1  0  0
 19 21 01  0  1  0  0
 28 29 01  0  1  0  0
M  END

2D Structure

Ezetimibe

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Chemical Name - Ezetimibe
Mol Weight - 409.431
Smiles - O[C@@H](CC[C@H]([C@@H](c(cc1)ccc1O)N1c(cc2)ccc2F)C1=O)c(cc1)ccc1F

Property Name	Property Value
Mol Name	Ezetimibe
Molweight	409.431
Monoisotopic Mass	409.14895
Clogp	4.1644
Clogs	-4.763
H Acceptors	4
H Donors	2
Total Surface Area	297.75
Relative Psa	0.14371
Polar Surface Area	60.77
Druglikeness	0.9371
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.53333
Molecular Flexibility	0.34081
Molecular Complexity	0.84556
Fragments	1
Non H Atoms	30
Non Ch Atoms	6
Electronegative Atoms	6
Stereo Centers	3
Rotatable Bonds	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	7
Symmetric Atoms	6
Amides	1
Smiles	O[C@@H](CC[C@H]([C@@H](c(cc1)ccc1O)N1c(cc2)ccc2F)C1=O)c(cc1)ccc1F
InChIKey
InChI	C24H21NO3F2

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1 — Ezetimibe | 2 — Ezetimibe