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DocumentationIdentifier: MM325717
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325717 |
| SMILES |
C=CC(=O)OC=C(F)C#N
|
| InChIKey |
DBDLUAYXOJVXSH-UHFFFAOYSA-N
|
| MW [Da] |
141.1
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146717
Similarity: 0.8167
Similarity to MM146717
| Tanimoto metric | 0.8167 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.8991 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146479
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| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253376
Similarity: 0.6765
Similarity to MM253376
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.807 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
