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DocumentationIdentifier: MM82665
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82665 |
| SMILES |
N#CC(O)C(=O)C(F)C#N
|
| InChIKey |
GFEUUGAQYYOFSQ-UHFFFAOYSA-N
|
| MW [Da] |
142.09
Automatically obtained from RDkit software. |
| LogP |
-0.7
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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MM47506
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Similarity to MM47506
| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8958 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351200
Similarity: 0.6468
Similarity to MM351200
| Tanimoto metric | 0.6468 |
|---|---|
| Cosine metric | 0.7861 |
| Dice metric | 0.7855 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351170
Similarity: 0.6418
Similarity to MM351170
| Tanimoto metric | 0.6418 |
|---|---|
| Cosine metric | 0.7823 |
| Dice metric | 0.7818 |
| MW: | 147.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+17 more
