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DocumentationIdentifier: MM77349
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77349 |
| SMILES |
N#CCCC(F)(C#N)C#N
|
| InChIKey |
JYNJLPWMVQNIGL-UHFFFAOYSA-N
|
| MW [Da] |
137.12
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41891
Similarity: 0.8556
Similarity to MM41891
| Tanimoto metric | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15534
Similarity: 0.71
Similarity to MM15534
| Tanimoto metric | 0.71 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8304 |
| MW: | 137.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77315
Similarity: 0.6754
Similarity to MM77315
| Tanimoto metric | 0.6754 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.8063 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+40 more
