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DocumentationIdentifier: MM53127
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53127 |
| SMILES |
N#CC(C=O)(C=O)CF
|
| InChIKey |
DWGXVZANVURQJF-UHFFFAOYSA-N
|
| MW [Da] |
129.09
Automatically obtained from RDkit software. |
| LogP |
-0.14
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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MM35188
Similarity: 0.8108
Similarity to MM35188
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM139936
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Similarity to MM139936
| Tanimoto metric | 0.6186 |
|---|---|
| Cosine metric | 0.7656 |
| Dice metric | 0.7643 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM27513
Similarity: 0.5946
Similarity to MM27513
| Tanimoto metric | 0.5946 |
|---|---|
| Cosine metric | 0.7711 |
| Dice metric | 0.7458 |
| MW: | 101.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
