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DocumentationIdentifier: MM02838
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02838 |
| SMILES |
CC(C#N)C(=O)OCC=O
|
| InChIKey |
QZOYAEYWJWQCLG-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02110
Similarity: 0.7627
Similarity to MM02110
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8655 |
| Dice metric | 0.8654 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM242347
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Similarity to MM242347
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8168 |
| Dice metric | 0.8165 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Methyl 2-cyanopropanoate
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| Tanimoto metric | 0.6887 |
|---|---|
| Cosine metric | 0.8299 |
| Dice metric | 0.8156 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+75 more
