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DocumentationIdentifier: MM317724
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317724 |
| SMILES |
COC(=O)COC(C)C#N
|
| InChIKey |
ABIHVJHIHZOEJB-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
0.09
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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MM443520
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| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81599
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| Tanimoto metric | 0.7573 |
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| Cosine metric | 0.8629 |
| Dice metric | 0.8619 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM48639
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Similarity to MM48639
| Tanimoto metric | 0.7158 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8344 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
