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DocumentationIdentifier: MM284531
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284531 |
| SMILES |
C#CC=C(F)C#CCC#N
|
| InChIKey |
DFDCAIABHXZPDO-UHFFFAOYSA-N
|
| MW [Da] |
133.13
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170918
Similarity: 0.8602
Similarity to MM170918
| Tanimoto metric | 0.8602 |
|---|---|
| Cosine metric | 0.9275 |
| Dice metric | 0.9249 |
| MW: | 123.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM159426
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Similarity to MM159426
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM371960
Similarity: 0.7549
Similarity to MM371960
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8603 |
| MW: | 133.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
