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DocumentationIdentifier: MM139093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139093 |
| SMILES |
N#CC(F)(F)C#CCF
|
| InChIKey |
KCOGNYRPKGCPFX-UHFFFAOYSA-N
|
| MW [Da] |
133.07
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM228564
Similarity: 0.907
Similarity to MM228564
| Tanimoto metric | 0.907 |
|---|---|
| Cosine metric | 0.9524 |
| Dice metric | 0.9512 |
| MW: | 151.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103235
Similarity: 0.8462
Similarity to MM103235
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 115.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145957
Similarity: 0.7619
Similarity to MM145957
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8661 |
| Dice metric | 0.8649 |
| MW: | 133.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
