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DocumentationIdentifier: MM141836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM141836 |
| SMILES |
N#CC(F)CC(F)C#N
|
| InChIKey |
IHKNIBGTQOQQOH-UHFFFAOYSA-N
|
| MW [Da] |
130.1
Automatically obtained from RDkit software. |
| LogP |
1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36200
Similarity: 0.8276
Similarity to MM36200
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 112.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141673
Similarity: 0.72
Similarity to MM141673
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8415 |
| Dice metric | 0.8372 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97949
Similarity: 0.6897
Similarity to MM97949
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8163 |
| MW: | 101.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
