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DocumentationIdentifier: MM253143
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253143 |
| SMILES |
C=CC=C(F)C#CC(N)=O
|
| InChIKey |
WYQSWXICKITWBL-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253154
Similarity: 0.7348
Similarity to MM253154
| Tanimoto metric | 0.7348 |
|---|---|
| Cosine metric | 0.8474 |
| Dice metric | 0.8472 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253110
Similarity: 0.7293
Similarity to MM253110
| Tanimoto metric | 0.7293 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8435 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253111
Similarity: 0.7185
Similarity to MM253111
| Tanimoto metric | 0.7185 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8362 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
