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DocumentationIdentifier: MM40137
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40137 |
| SMILES |
CC(F)(F)C(C)(O)C#N
|
| InChIKey |
DHCCTGQDRXCTNY-UHFFFAOYSA-N
|
| MW [Da] |
135.11
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103284
Similarity: 0.7131
Similarity to MM103284
| Tanimoto metric | 0.7131 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8325 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229828
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Similarity to MM229828
| Tanimoto metric | 0.7052 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8271 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM28360
Similarity: 0.6393
Similarity to MM28360
| Tanimoto metric | 0.6393 |
|---|---|
| Cosine metric | 0.7996 |
| Dice metric | 0.78 |
| MW: | 121.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+292 more
