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DocumentationIdentifier: MM57987
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57987 |
| SMILES |
C#CC(=O)NC(C)(C)C#N
|
| InChIKey |
GERRSAAFBRFCMT-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40109
Similarity: 0.75
Similarity to MM40109
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80197
Similarity: 0.7302
Similarity to MM80197
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.844 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264807
Similarity: 0.6889
Similarity to MM264807
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.8159 |
| Dice metric | 0.8158 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+256 more
