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DocumentationIdentifier: MM351540
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351540 |
| SMILES |
N#CC(F)C(=O)C(F)C#N
|
| InChIKey |
NCTUAAFPCJNSNY-UHFFFAOYSA-N
|
| MW [Da] |
144.08
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111917
Similarity: 0.7103
Similarity to MM111917
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8306 |
| MW: | 119.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111915
Similarity: 0.7009
Similarity to MM111915
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8242 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM182368
Similarity: 0.6871
Similarity to MM182368
| Tanimoto metric | 0.6871 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8145 |
| MW: | 147.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
