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DocumentationIdentifier: MM312968
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312968 |
| SMILES |
C#CC(C=O)(CC#N)NC
|
| InChIKey |
WRZLHQLGVAIHMV-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46482
Similarity: 0.6226
Similarity to MM46482
| Tanimoto metric | 0.6226 |
|---|---|
| Cosine metric | 0.7891 |
| Dice metric | 0.7674 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44910
Similarity: 0.5771
Similarity to MM44910
| Tanimoto metric | 0.5771 |
|---|---|
| Cosine metric | 0.7405 |
| Dice metric | 0.7319 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312856
Similarity: 0.5625
Similarity to MM312856
| Tanimoto metric | 0.5625 |
|---|---|
| Cosine metric | 0.729 |
| Dice metric | 0.72 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
