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DocumentationIdentifier: MM266894
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266894 |
| SMILES |
C#CC(F)=CC(=O)NC=C
|
| InChIKey |
RFDYIBYRFZCFAC-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
0.73
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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MM43593
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Similarity to MM43593
| Tanimoto metric | 0.8244 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.9038 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM136255
Similarity: 0.7634
Similarity to MM136255
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.8658 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM247673
Similarity: 0.7285
Similarity to MM247673
| Tanimoto metric | 0.7285 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8429 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
