Compound 48
  CheckMol                        TMF02:r0:m0
MF=C20H19FN2O6 MW=402.38
 29 31  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4975   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2835   -2.2462   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3311   -2.2343   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2717   -3.7437   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3430   -3.7318   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0475   -4.4805   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0594   -5.9780   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3786   -6.7148   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3905   -8.2123   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6978   -5.9423   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7097   -8.9491   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0170   -6.6792   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8744   -8.3549   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3481   -8.9254   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6673   -8.1529   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9865   -7.3923   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3719   -7.3923   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6792   -9.6503   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3057   -8.1291   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9984   -5.8710   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2666   -7.9271   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3837   -5.8710   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3837  -10.3991   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7029   -5.1104   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3956  -11.8965   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7148   -3.5892   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1002  -12.6453   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1121  -14.1427   -0.0000 C   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  0  0  0
  9 10 02  0  1  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
 11 13 02  0  1  0  0
 12 14 02  0  1  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  1  0  0
 16 18  1  0  1  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  1  0  0
 18 22  2  0  0  0  0
 18 23  1  0  1  0  0
 19 24  1  0  0  0  0
 21 25  1  0  1  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
  6  7 01  0  1  0  0
 13 14 01  0  1  0  0
 23 25  1  0  1  0  0
M  END

2D Structure

Pfd

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Chemical Name - Pfd
Mol Weight - 402.377
Smiles - CCOCCC(C(NC(N1)=O)=O)(C1=O)Oc(cc1)ccc1Oc(cc1)ccc1F

Property Name	Property Value
Mol Name	Pfd
Molweight	402.377
Monoisotopic Mass	402.122716
Clogp	1.9097
Clogs	-4.979
H Acceptors	8
H Donors	2
Total Surface Area	295.99
Relative Psa	0.31096
Polar Surface Area	102.96
Druglikeness	1.9654
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.58621
Molecular Flexibility	0.51264
Molecular Complexity	0.79438
Fragments	1
Non H Atoms	29
Non Ch Atoms	9
Electronegative Atoms	9
Rotatable Bonds	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	8
Symmetric Atoms	7
Amides	2
Smiles	CCOCCC(C(NC(N1)=O)=O)(C1=O)Oc(cc1)ccc1Oc(cc1)ccc1F
InChIKey	InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26)
InChI	XRSYNYGEEYTXJV-UHFFFAOYSA-N

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1 — Pfd | 2 — Pfd