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DocumentationIdentifier: MM50296
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50296 |
| SMILES |
CCN(C)C(=O)CC#N
|
| InChIKey |
OOKDKRGEASFNIU-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM293576
Similarity: 0.7863
Similarity to MM293576
| Tanimoto metric | 0.7863 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8804 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293779
Similarity: 0.7603
Similarity to MM293779
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8638 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293087
Similarity: 0.7603
Similarity to MM293087
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8638 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
