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DocumentationIdentifier: MM184057
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM184057 |
| SMILES |
O=CC(F)C(=O)C#CCO
|
| InChIKey |
QSIQREDFCLUNJE-UHFFFAOYSA-N
|
| MW [Da] |
144.1
Automatically obtained from RDkit software. |
| LogP |
-0.91
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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MM163668
Similarity: 0.792
Similarity to MM163668
| Tanimoto metric | 0.792 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8839 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM184322
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Similarity to MM184322
| Tanimoto metric | 0.7014 |
|---|---|
| Cosine metric | 0.8247 |
| Dice metric | 0.8245 |
| MW: | 146.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM90479
Similarity: 0.7007
Similarity to MM90479
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.824 |
| Dice metric | 0.824 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+94 more
