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DocumentationIdentifier: MM305493
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305493 |
| SMILES |
CC(=O)N(CC#N)CC#N
|
| InChIKey |
YAWXUUFQMLOYNN-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52263
Similarity: 0.9487
Similarity to MM52263
| Tanimoto metric | 0.9487 |
|---|---|
| Cosine metric | 0.974 |
| Dice metric | 0.9737 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34483
Similarity: 0.8205
Similarity to MM34483
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75658
Similarity: 0.7238
Similarity to MM75658
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.8479 |
| Dice metric | 0.8398 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
