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DocumentationIdentifier: MM241596
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241596 |
| SMILES |
C#CCC#CC(F)(F)C=O
|
| InChIKey |
CDMIQSLSUFDVPF-UHFFFAOYSA-N
|
| MW [Da] |
142.1
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139089
Similarity: 0.8526
Similarity to MM139089
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.9234 |
| Dice metric | 0.9205 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241581
Similarity: 0.7864
Similarity to MM241581
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8809 |
| Dice metric | 0.8804 |
| MW: | 146.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241540
Similarity: 0.7431
Similarity to MM241540
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.8526 |
| Dice metric | 0.8526 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
