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DocumentationIdentifier: MM378679
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378679 |
| SMILES |
CCC=CC(C=O)C=CF
|
| InChIKey |
WDZDOHQMTKIPOF-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178436
Similarity: 0.8353
Similarity to MM178436
| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378774
Similarity: 0.7347
Similarity to MM378774
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8471 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364871
Similarity: 0.7079
Similarity to MM364871
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8289 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
