Compound 44
  CheckMol                        TMF02:r0:m0
MF=C20H24O2 MW=296.41
 22 25  0 10  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3658   -0.6057   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5083   -2.0902   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5772    0.2969   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8741   -2.6959   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9429   -0.3088   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0166   -4.1805   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0854   -1.7933   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7814   -5.0593   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3824   -4.7861   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4512   -2.3990   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2968   -0.8907   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5937   -3.8835   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6626   -1.4964   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9595   -4.4892   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0284   -2.1021   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1709   -3.5866   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4108   -5.9144   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3823   -4.4655   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4654   -2.8266   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9072   -5.9025   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8074   -3.9904   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  2  0  1  0  0
  4  6  2  0  1  0  0
  5  7  1  0  1  0  0
  5  8  1  0  2  0  0
  7  9  2  0  0  0  0
  7 10  1  0  1  0  0
  8 11  1  0  1  0  0
  8 12  1  1  0  0  0
 13 10  1  6  1  0  0
 11 14  1  1  1  0  0
 13 15  1  0  1  0  0
 14 16  1  0  1  0  0
 15 17  1  0  2  0  0
 15 18  1  1  1  0  0
 17 19  1  0  1  0  0
 17 20  1  1  0  0  0
 18 21  1  0  1  0  0
 19 22  2  0  0  0  0
  6  8  1  0  1  0  0
 11 13  1  0  2  0  0
 16 17  1  0  1  0  0
 19 21  1  0  1  0  0
M  END

2D Structure

Exemestane

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Chemical Name - Exemestane
Mol Weight - 296.409
Smiles - C[C@](CC1)([C@@H](CC2)[C@H](CC3=C)[C@H]1[C@@](C)(C=C1)C3=CC1=O)C2=O

Property Name	Property Value
Mol Name	Exemestane
Molweight	296.409
Monoisotopic Mass	296.17763
Clogp	3.6076
Clogs	-3.947
H Acceptors	2
Total Surface Area	220.6
Relative Psa	0.11822
Polar Surface Area	34.14
Druglikeness	-0.8784
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.20338
Molecular Complexity	0.92572
Fragments	1
Non H Atoms	22
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	5
Rings Closures	4
Small Rings	4
Sp3 Atoms	12
Smiles	C[C@](CC1)([C@@H](CC2)[C@H](CC3=C)[C@H]1[C@@](C)(C=C1)C3=CC1=O)C2=O
InChIKey
InChI	C20H24O2

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1 — Exemestane | 2 — Exemestane