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DocumentationIdentifier: MM76705
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76705 |
| SMILES |
CC(C#N)(C#N)C(F)C#N
|
| InChIKey |
DODWRUZAAZKOSR-UHFFFAOYSA-N
|
| MW [Da] |
137.12
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137661
Similarity: 0.8438
Similarity to MM137661
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16583
Similarity: 0.7188
Similarity to MM16583
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 123.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312848
Similarity: 0.6316
Similarity to MM312848
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.7746 |
| Dice metric | 0.7742 |
| MW: | 137.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
