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DocumentationIdentifier: MM296091
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296091 |
| SMILES |
CCN=C(C)N(C)CC#N
|
| InChIKey |
GGEKWAIIUVEESZ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76827
Similarity: 0.8349
Similarity to MM76827
| Tanimoto metric | 0.8349 |
|---|---|
| Cosine metric | 0.9137 |
| Dice metric | 0.91 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360132
Similarity: 0.7815
Similarity to MM360132
| Tanimoto metric | 0.7815 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8774 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175151
Similarity: 0.7431
Similarity to MM175151
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8526 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
