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DocumentationIdentifier: MM37276
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37276 |
| SMILES |
C#CC#CC(=O)NC
|
| InChIKey |
CASSNOQVXSWPBI-UHFFFAOYSA-N
|
| MW [Da] |
107.11
Automatically obtained from RDkit software. |
| LogP |
-0.63
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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MM170878
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Similarity to MM170878
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM369360
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Similarity to MM369360
| Tanimoto metric | 0.8133 |
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| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM369298
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Similarity to MM369298
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
