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DocumentationIdentifier: MM272441
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272441 |
| SMILES |
CCOC(C#N)CC(C)=O
|
| InChIKey |
UCLANATWSBHOEJ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.89
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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MM44500
Similarity: 0.8065
Similarity to MM44500
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177997
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Similarity to MM177997
| Tanimoto metric | 0.6855 |
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| Cosine metric | 0.8279 |
| Dice metric | 0.8134 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM79964
Similarity: 0.6733
Similarity to MM79964
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8048 |
| Dice metric | 0.8048 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
