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DocumentationIdentifier: MM312234
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312234 |
| SMILES |
C#CC(F)(C#N)C#CCF
|
| InChIKey |
UYYDZPWRZBROFZ-UHFFFAOYSA-N
|
| MW [Da] |
139.1
Automatically obtained from RDkit software. |
| LogP |
0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139805
Similarity: 0.8182
Similarity to MM139805
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 121.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243520
Similarity: 0.7759
Similarity to MM243520
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8738 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139084
Similarity: 0.7636
Similarity to MM139084
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.866 |
| MW: | 129.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
