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DocumentationIdentifier: MM334531
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334531 |
| SMILES |
C#CC(=O)OC(C#N)=CF
|
| InChIKey |
TWIUVJDBIKNPHQ-UHFFFAOYSA-N
|
| MW [Da] |
139.09
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150564
Similarity: 0.7483
Similarity to MM150564
| Tanimoto metric | 0.7483 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.856 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143226
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| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8425 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM43306
Similarity: 0.7143
Similarity to MM43306
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 121.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+27 more
