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DocumentationIdentifier: MM234427
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234427 |
| SMILES |
C=CCC(F)(F)C#CC#N
|
| InChIKey |
GXCNVSQMWWQGPG-UHFFFAOYSA-N
|
| MW [Da] |
141.12
Automatically obtained from RDkit software. |
| LogP |
1.72
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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MM139040
Similarity: 0.7615
Similarity to MM139040
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8646 |
| MW: | 129.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM234414
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Similarity to MM234414
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8357 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158416
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Similarity to MM158416
| Tanimoto metric | 0.7156 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8342 |
| MW: | 123.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
