Compound 118
  CheckMol                        TMF02:r0:m0
MF=C19H22F2N4O3 MW=392.41
 28 31  0  5  1               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2756    2.2677   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3228    2.2677   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5630    1.5354   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2638    3.7795   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6338    1.5236   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3346    3.7795   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8504    2.2913   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5512    0.0472   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5512    4.5354   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9449    2.2913   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6457    0.0354   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6457    4.5354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1378    1.5590   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8386   -0.6850   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591    6.0472   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9567    3.8031   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.4134   -1.2520   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9134   -1.2520   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6575    6.0472   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1260    0.0709   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4252    2.3150   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8268   -2.1732   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2677    4.5590   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5787    3.8268   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2795    6.0708   -0.0000 O   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  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 01  0  1  0  0
  4  8 02  0  2  0  0
  5  9  1  0  1  0  0
  5 10  1  0  1  0  0
  6 11  1  0  0  0  0
  6 12 02  0  1  0  0
  7 13 01  0  1  0  0
  7 14  1  0  0  0  0
  8 15 01  0  1  0  0
  9 16  1  0  1  0  0
 10 17  1  0  1  0  0
 12 18  1  0  0  0  0
 13 19 02  0  1  0  0
 14 20  1  0  1  0  0
 14 21  1  0  1  0  0
 15 22  2  0  0  0  0
 16 23  1  0  1  0  0
 16 24  1  6  0  0  0
 17 25  1  6  0  0  0
 19 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 12 01  0  1  0  0
 15 19 01  0  1  0  0
 17 23  1  0  1  0  0
 20 21  1  0  1  0  0
M  END

2D Structure

Sparfloxacin

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Chemical Name - Sparfloxacin
Mol Weight - 392.405
Smiles - C[C@H](C1)N[C@@H](C)CN1c(c(F)c(c1c2N(C3CC3)C=C(C(O)=O)C1=O)N)c2F

Property Name	Property Value
Mol Name	Sparfloxacin
Molweight	392.405
Monoisotopic Mass	392.165997
Clogp	-1.4535
Clogs	-4.466
H Acceptors	7
H Donors	3
Total Surface Area	269.66
Relative Psa	0.27075
Polar Surface Area	98.9
Druglikeness	3.4555
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.42857
Molecular Flexibility	0.28657
Molecular Complexity	0.96174
Fragments	1
Non H Atoms	28
Non Ch Atoms	9
Electronegative Atoms	9
Stereo Centers	2
Rotatable Bonds	3
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	13
Symmetric Atoms	1
Amines	3
Alkyl Amines	1
Aromatic Amines	2
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	C[C@H](C1)N[C@@H](C)CN1c(c(F)c(c1c2N(C3CC3)C=C(C(O)=O)C1=O)N)c2F
InChIKey	InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9-/m0/s1
InChI	DZZWHBIBMUVIIW-IUCAKERBSA-N

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1 — Sparfloxacin | 2 — Sparfloxacin