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DocumentationIdentifier: MM325864
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325864 |
| SMILES |
C#CC(=O)OC=C(F)C=O
|
| InChIKey |
CEUGGRPBXIWIAG-UHFFFAOYSA-N
|
| MW [Da] |
142.09
Automatically obtained from RDkit software. |
| LogP |
0.17
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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MM146495
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| Tanimoto metric | 0.7903 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8829 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM44357
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| Tanimoto metric | 0.7661 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 132.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM325891
Similarity: 0.6712
Similarity to MM325891
| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.8034 |
| Dice metric | 0.8033 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
