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DocumentationIdentifier: MM293576
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293576 |
| SMILES |
CN(CC=O)C(=O)CC#N
|
| InChIKey |
SFXWDOWFQCKYCP-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50296
Similarity: 0.7863
Similarity to MM50296
| Tanimoto metric | 0.7863 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8804 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293572
Similarity: 0.687
Similarity to MM293572
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8159 |
| Dice metric | 0.8145 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293570
Similarity: 0.6383
Similarity to MM293570
| Tanimoto metric | 0.6383 |
|---|---|
| Cosine metric | 0.7793 |
| Dice metric | 0.7792 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
