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DocumentationIdentifier: MM02285
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02285 |
| SMILES |
CC(=O)C#CC(F)C=O
|
| InChIKey |
VQFFMYXWTIMHOK-UHFFFAOYSA-N
|
| MW [Da] |
128.1
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15615
Similarity: 0.8039
Similarity to MM15615
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8913 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM323393
Similarity: 0.7885
Similarity to MM323393
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM323397
Similarity: 0.7455
Similarity to MM323397
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8634 |
| Dice metric | 0.8542 |
| MW: | 144.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
