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DocumentationIdentifier: MM116278
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116278 |
| SMILES |
CCC(C=O)C=CF
|
| InChIKey |
BKJREXZRMXMKLA-UHFFFAOYSA-N
|
| MW [Da] |
116.14
Automatically obtained from RDkit software. |
| LogP |
1.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178255
Similarity: 0.8108
Similarity to MM178255
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178258
Similarity: 0.7895
Similarity to MM178258
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM52340
Similarity: 0.7895
Similarity to MM52340
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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