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DocumentationIdentifier: MM355177
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355177 |
| SMILES |
C#CC(=O)C(F)=C(C)C=C
|
| InChIKey |
BWSWQEYFYNBDIG-UHFFFAOYSA-N
|
| MW [Da] |
138.14
Automatically obtained from RDkit software. |
| LogP |
1.62
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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MM175679
Similarity: 0.7338
Similarity to MM175679
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8464 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161672
Similarity: 0.7273
Similarity to MM161672
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM161884
Similarity: 0.7273
Similarity to MM161884
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
