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DocumentationIdentifier: MM28465
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28465 |
| SMILES |
CN(C)CC(=O)CC#N
|
| InChIKey |
OSHLNYWMUJYUOT-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28425
Similarity: 0.7117
Similarity to MM28425
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8316 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152540
Similarity: 0.64
Similarity to MM152540
| Tanimoto metric | 0.64 |
|---|---|
| Cosine metric | 0.781 |
| Dice metric | 0.7805 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106297
Similarity: 0.6172
Similarity to MM106297
| Tanimoto metric | 0.6172 |
|---|---|
| Cosine metric | 0.7856 |
| Dice metric | 0.7633 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
