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DocumentationIdentifier: MM137675
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137675 |
| SMILES |
CC(C=O)C(F)(F)C#N
|
| InChIKey |
CFPFLPBOVJALDS-UHFFFAOYSA-N
|
| MW [Da] |
133.1
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM239022
Similarity: 0.7206
Similarity to MM239022
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8376 |
| MW: | 144.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02363
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Similarity to MM02363
| Tanimoto metric | 0.7041 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8263 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103088
Similarity: 0.6633
Similarity to MM103088
| Tanimoto metric | 0.6633 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.7975 |
| MW: | 119.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+146 more
