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DocumentationIdentifier: MM25768
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25768 |
| SMILES |
N#CC(F)(F)C#N
|
| InChIKey |
XWRISGYTPCBGDC-UHFFFAOYSA-N
|
| MW [Da] |
102.04
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23889
Similarity: 0.8571
Similarity to MM23889
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 91.06 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-fluoropropanedinitrile
Similarity: 0.6571
Similarity to 2-fluoropropanedinitrile
| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.8106 |
| Dice metric | 0.7931 |
| MW: | 84.05 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25718
Similarity: 0.5882
Similarity to MM25718
| Tanimoto metric | 0.5882 |
|---|---|
| Cosine metric | 0.7477 |
| Dice metric | 0.7407 |
| MW: | 105.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+14 more
