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DocumentationIdentifier: MM41734
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41734 |
| SMILES |
C#CC(=O)C(F)(F)C#N
|
| InChIKey |
HSLSZRVACPFLJD-UHFFFAOYSA-N
|
| MW [Da] |
129.07
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15694
Similarity: 0.7083
Similarity to MM15694
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 111.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28397
Similarity: 0.6583
Similarity to MM28397
| Tanimoto metric | 0.6583 |
|---|---|
| Cosine metric | 0.8114 |
| Dice metric | 0.794 |
| MW: | 118.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM174696
Similarity: 0.5862
Similarity to MM174696
| Tanimoto metric | 0.5862 |
|---|---|
| Cosine metric | 0.7398 |
| Dice metric | 0.7391 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+103 more
