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Compound 117
  CheckMol                        TMF02:r0:m0
MF=C20H21F3N4O MW=390.41
 28 31  0  5  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7662   -1.2849   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5187   -2.0158   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -2.5699   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0748   -0.5305   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3833   -1.2732   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.0866    0.9784   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6918   -0.5069   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3951    1.7447   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.0003   -1.2496   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7036    1.0020   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.3088   -0.4951   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0121   -2.7349   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6173   -1.2378   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3206   -3.4776   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6291   -2.7231   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9377   -3.4658   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2462   -2.7113   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5547   -3.4540   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  -13.9339   -2.8292   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -12.7197   -4.9276   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -14.2522   -1.3557   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9477   -3.9256   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  -14.1933   -5.2223   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.7295   -6.0239   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -14.6648   -6.6369   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -12.2010   -7.4385   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -13.6746   -7.7332   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10  1  0  0  0  0
  8 11 02  0  1  0  0
 10 12  1  0  1  0  0
 10 13  1  0  1  0  0
 12 14  1  0  1  0  0
 13 15  1  0  1  0  0
 14 16  1  0  1  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20 01  0  1  0  0
 19 21 01  0  1  0  0
 20 22  2  0  0  0  0
 20 23 01  0  1  0  0
 21 24 02  0  2  0  0
 21 25 01  0  1  0  0
 24 26 01  0  1  0  0
 25 27 02  0  1  0  0
 26 28 02  0  1  0  0
  9 11 01  0  1  0  0
 15 16  1  0  1  0  0
 23 24 01  0  1  0  0
 27 28 01  0  1  0  0
M  END

Flibanserin

₹ 0.00 0.00

Chemical Name - Flibanserin
Mol Weight - 390.408
Smiles - O=C1N(CCN(CC2)CCN2c2cccc(C(F)(F)F)c2)c(cccc2)c2N1

Property Name	Property Value
Mol Name	Flibanserin
Molweight	390.408
Monoisotopic Mass	390.166745
Clogp	3.0313
Clogs	-4.149
H Acceptors	5
H Donors	1
Total Surface Area	278.15
Relative Psa	0.12637
Polar Surface Area	38.82
Druglikeness	-0.81551
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.47477
Molecular Complexity	0.81145
Fragments	1
Non H Atoms	28
Non Ch Atoms	8
Electronegative Atoms	8
Rotatable Bonds	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	8
Symmetric Atoms	4
Amides	2
Amines	2
Alkyl Amines	1
Aromatic Amines	1
Basic Nitrogens	1
Smiles	O=C1N(CCN(CC2)CCN2c2cccc(C(F)(F)F)c2)c(cccc2)c2N1
InChIKey	InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)
InChI	PPRRDFIXUUSXRA-UHFFFAOYSA-N

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Flibanserin