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DocumentationIdentifier: MM46919
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46919 |
| SMILES |
CC(C#CC#N)NC=O
|
| InChIKey |
WAGXWAMTWKXSSS-UHFFFAOYSA-N
|
| MW [Da] |
122.13
Automatically obtained from RDkit software. |
| LogP |
-0.35
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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MM380217
Similarity: 0.8298
Similarity to MM380217
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.907 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234430
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Similarity to MM234430
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107702
Similarity: 0.7564
Similarity to MM107702
| Tanimoto metric | 0.7564 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8613 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+132 more
