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DocumentationIdentifier: MM42392
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42392 |
| SMILES |
CC(C#N)(C#N)OC=O
|
| InChIKey |
JJOKMPSTBOREOW-UHFFFAOYSA-N
|
| MW [Da] |
124.1
Automatically obtained from RDkit software. |
| LogP |
-0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78204
Similarity: 0.9481
Similarity to MM78204
| Tanimoto metric | 0.9481 |
|---|---|
| Cosine metric | 0.9737 |
| Dice metric | 0.9733 |
| MW: | 135.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103097
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| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM58366
Similarity: 0.73
Similarity to MM58366
| Tanimoto metric | 0.73 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8439 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+66 more
