SDF Generator from SMILES

Q

How to generate the molecule structure in SDF format from a SMILES string?

To help you to generate the molecule structure in SDF format from a SMILES string, FYIcenter.com has designed this online tool. All you need to do is to enter the SMILES string in the form below, and click the "Go" button. The molecule structure will be generated in the result area.


Molecule SMILES String:

✍: FYIcenter.com

A

SDF/Mol file generated by FYIcenter.com:

Spcified SMILES: Valid

Molecule Structure SDF File:

FYI-1000041
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0335   -1.4421    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2321   -0.7501   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657    0.6920    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0335    1.4421   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321    0.7501    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657   -0.6920   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335   -1.4421    1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574   -2.4695   -0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2321   -0.7501   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1100   -1.2844    0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1673    1.1851   -0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657    0.6920    1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0335    1.4421   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0574    2.4695    0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1100    1.2844   -0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321    0.7501    1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1673   -1.1851    0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657   -0.6920   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
$$$$

Molecule Structure Displayed in 2D:

 

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2020-04-21, 416👍, 0💬