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DocumentationIdentifier: MM32968
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM32968 |
| SMILES |
CC(=O)OC(C)C#N
|
| InChIKey |
BMJFWKRWVAQUPA-UHFFFAOYSA-N
|
| MW [Da] |
113.12
Automatically obtained from RDkit software. |
| LogP |
0.46
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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Dicyanomethyl Acetate
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Similarity to Dicyanomethyl Acetate
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM42977
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| Tanimoto metric | 0.7326 |
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| Cosine metric | 0.8559 |
| Dice metric | 0.8456 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM43041
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Similarity to MM43041
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
