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DocumentationIdentifier: MM139946
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139946 |
| SMILES |
N#CC(F)(C#N)C(F)F
|
| InChIKey |
HIFFTTFAJTUOQL-UHFFFAOYSA-N
|
| MW [Da] |
134.06
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229854
Similarity: 0.81
Similarity to MM229854
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.895 |
| MW: | 152.05 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35212
Similarity: 0.7037
Similarity to MM35212
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8261 |
| MW: | 116.07 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229851
Similarity: 0.6328
Similarity to MM229851
| Tanimoto metric | 0.6328 |
|---|---|
| Cosine metric | 0.7955 |
| Dice metric | 0.7751 |
| MW: | 148.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
