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DocumentationIdentifier: MM111917
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111917 |
| SMILES |
N#CC(F)C(=O)CF
|
| InChIKey |
ZZWMUUPIMGEJNK-UHFFFAOYSA-N
|
| MW [Da] |
119.07
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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2-fluoro-3-oxobutanenitrile
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| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 101.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351540
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| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8306 |
| MW: | 144.08 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.28 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111915
Similarity: 0.6593
Similarity to MM111915
| Tanimoto metric | 0.6593 |
|---|---|
| Cosine metric | 0.7947 |
| Dice metric | 0.7947 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
