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DocumentationIdentifier: MM156498
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156498 |
| SMILES |
N#CCC(=O)CNC=O
|
| InChIKey |
HELFATOJWAHAMD-UHFFFAOYSA-N
|
| MW [Da] |
126.12
Automatically obtained from RDkit software. |
| LogP |
-0.78
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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MM113158
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Similarity to MM113158
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8451 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351123
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Similarity to MM351123
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.841 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM356098
Similarity: 0.6296
Similarity to MM356098
| Tanimoto metric | 0.6296 |
|---|---|
| Cosine metric | 0.7745 |
| Dice metric | 0.7727 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
