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Molecule FYI-1000268
Molecule Summary: ID: FYI-1000268 SMILES: N[17C@@](F)([18C])C(=[19O])[20 O]Received at FYIcenter.com on: 2021-02-24
2021-04-04, 234👍, 0💬

Molecule FYI-1000265
Molecule Summary: ID: FYI-1000265 SMILES: N[17C@@](F)(C)C(=O)O Received at FYIcenter.com on: 2021-02-24
2021-04-04, 233👍, 0💬

Molecule FYI-1000262
Molecule Summary: ID: FYI-1000262 SMILES: [CH+]=C1CC=C(N2N=CC=N2)C=N1 Received at FYIcenter.com on: 2021-02-12
2021-03-21, 386👍, 0💬

Stereoinformation Presentation in SDF/Mol File
How Stereoinformation Is Presented in SDF/Mol and SDF/Mol V3000 Files? Ideally stereoinformation should be stored in atom's coordinates, since SDF/Mol files support x, y, and z, 3-dimensional coordinates. However, not all software supports 3-dimensional coordinates. So SDF/Mol file uses 3 types of p...
2021-03-21, 336👍, 0💬

What Is Stereochemistry
What Is Stereochemistry? Stereochemistry is the study of stereoisomers, which are molecules having same atoms and same connectivities, but with different spatial arrangements. Here are some stereoisomers listed in the picture below: Example of Stereoisomers   ⇒ Stereoinformation Presentation in SDF/...
2021-03-21, 295👍, 0💬

Molecule FYI-1000263
Molecule Summary: ID: FYI-1000263 SMILES: Cc4ccc2c(ccc3c1ccccc1ccc23)c4 Received at FYIcenter.com on: 2021-02-20
2021-03-21, 244👍, 0💬

Run Open Babel GUI on Windows
How to run OpenBabelGUI on Windows computers? Open Babel GUI is the graphical user interface for Open Babel. You can use Open Babel GUI to open a molecule file in any supported format and convert it to any other format. Here is how to Open Babel GUI on Windows. 1. Search for "Open Babel GUI" in "Sta...
2021-03-07, 574👍, 0💬

Molecule FYI-1000233
Molecule Summary: ID: FYI-1000233 SMILES: [Zn]=O Received at FYIcenter.com on: 2021-01-22
2021-03-07, 249👍, 0💬

Open Babel Options on SDF/Mol Files
What options are offered in Parity Code to support stereoinformation in SDF/Mol V2000 and V3000 files generated by Open Babel? Here is the documentation of Open Babel 2.4.1 with options listed to support stereoinformation in SDF/Mol V2000 and V3000 files: fyicenter$ obabel -V Open Babel 2.4.1 -- May...
2021-03-07, 340👍, 0💬

Parity and Stereo with Open Babel
Cam Open Babel support stereoinformation represented by the Parity Code and Stereo Code in SDF/Mol files? Yes. Open Babel can support stereoinformation represented by the Parity Code and Stereo Code in SDF/Mol files. But you should use Open Babel 2.4.1 and newer versions. Open Babel 2.3.1 seems to h...
2021-03-07, 319👍, 0💬

Molecule FYI-1000259
Molecule Summary: ID: FYI-1000259 SMILES: CC1=CC2=C(C=C1C3=CC=CC(=C3)C[N +]#[C-])N=C(N=C2N)NReceived at FYIcenter.com on: 2021-02-07
2021-03-07, 241👍, 0💬

Molecule FYI-1000260
Molecule Summary: ID: FYI-1000260 SMILES: C=C(C=NC1=NC=C(C(F)(F)F)N=C1)[ NH+](C)CC1=NC(=C)CC=C1N1N=CC=N 1Received at FYIcenter.com on: 2021-02-12
2021-03-07, 240👍, 0💬

Molecule FYI-1000261
Molecule Summary: ID: FYI-1000261 SMILES: C=C(C)[NH+](C)C(=O)C1=NC(=C)CC =C1N1N=CC=N1Received at FYIcenter.com on: 2021-02-12
2021-03-07, 232👍, 0💬

Install Open Babel Binary Package on Windows
How to Install Open Babel binary package on Windows computers? The easiest option to install Open Babel on Windows computers is to install the Open Babel pre-compiled binary package as shown in this tutorial.: 1. Go to GitHub Website for Open Babel 3.0.0. 2. Click to download "OpenBabel-3.0.0.exe" f...
2021-02-17, 634👍, 0💬

Running Open Babel on Windows
Where to find FAQ (Frequently Asked Questions) on running Open Babel on Windows? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on running Open Babel on Windows. Install Open Babel Binary Package on Windows Run Open Babel GUI on Windows Structure...
2021-02-17, 464👍, 0💬

Molecule FYI-1000236
Molecule Summary: ID: FYI-1000236 SMILES: NCc5ccc4OC3(CCN(C(=O)c2cc(C#Cc 1ccccc1)co2)CC3)Cc4c5Received at FYIcenter.com on: 2021-01-30
2021-02-17, 265👍, 0💬

Molecule FYI-1000237
Molecule Summary: ID: FYI-1000237 SMILES: CCCCC Received at FYIcenter.com on: 2021-02-04
2021-02-17, 262👍, 0💬

Molecule FYI-1000235
Molecule Summary: ID: FYI-1000235 SMILES: COC1=CC=C(C=C1)C=O Received at FYIcenter.com on: 2021-01-29
2021-02-17, 256👍, 0💬

Molecule FYI-1000234
Molecule Summary: ID: FYI-1000234 SMILES: O=Cc1ccc(cc1)C(=O)OC Received at FYIcenter.com on: 2021-01-25
2021-02-17, 254👍, 0💬

Stereoinformation in SDF/Mol V3000 Files
How Stereoinformation is stored in in SDF/Mol V3000 files? Similar to SDF/Mol V2000, stereoinformation can be stored in SDF/Mol V3000 files in 3 ways: 0D, 2D, and 3D. 0D: Stereoinformation in 0 dimension is defined by parity at atom lines as "CFG=n" options. 2D: Stereoinformation in 2 dimension is d...
2021-02-06, 381👍, 0💬

Stereochemistry with JSME (Molecule Editor in JavaScript)
Can JSME (Molecule Editor in JavaScript) be used to do Stereochemistry? Yes. JSME (Molecule Editor in JavaScript) can be used to stereochemistry. You can create a molecule structure with wedges and hatches provide stereoinformation on bonds. Here is an example with 1 wedge and 1 hatch: Molecule with...
2021-02-06, 323👍, 0💬

"babel ... -o svg -xi" - Show Atom Indices in SVG
How to show atom indices in a molecule SVG picture? I want to see in what order each atom is listed in the SMILES string. The SMILES string list each atom a molecule is a specific sequence. You can use the "-xi" option when generating the SVG file to show the index of each atom corresponding to the ...
2021-02-04, 464👍, 0💬

Molecule FYI-1000199
Molecule Summary: ID: FYI-1000199 SMILES: N[C@H]1CCN(Cc2ccn3ncncc23)C[C@ H]1OReceived at FYIcenter.com on: 2020-12-07
2021-02-04, 384👍, 0💬

Molecule FYI-1000202
Molecule Summary: ID: FYI-1000202 SMILES: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OC CCCCCReceived at FYIcenter.com on: 2020-12-12
2021-02-04, 272👍, 0💬

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