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DocumentationIdentifier: MM143226
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM143226 |
| SMILES |
C#CC(=O)OC(C)=CF
|
| InChIKey |
QVWYEPFJSUAZIA-UHFFFAOYSA-N
|
| MW [Da] |
128.1
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM334655
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| Tanimoto metric | 0.7868 |
|---|---|
| Cosine metric | 0.887 |
| Dice metric | 0.8807 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334082
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| Tanimoto metric | 0.7329 |
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| Cosine metric | 0.8561 |
| Dice metric | 0.8458 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM334531
Similarity: 0.7279
Similarity to MM334531
| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8425 |
| MW: | 139.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+156 more
