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DocumentationIdentifier: MM175663
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175663 |
| SMILES |
C#CC(=O)C(F)=CCC
|
| InChIKey |
FZBSBFDEHUKVDX-UHFFFAOYSA-N
|
| MW [Da] |
126.13
Automatically obtained from RDkit software. |
| LogP |
1.45
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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MM112364
Similarity: 0.8131
Similarity to MM112364
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 112.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175680
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| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8465 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM175686
Similarity: 0.685
Similarity to MM175686
| Tanimoto metric | 0.685 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.8131 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+334 more
