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DocumentationIdentifier: MM01829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01829 |
| SMILES |
CC(F)(F)C(C#N)C#N
|
| InChIKey |
AKZBSTVCSUWKCJ-UHFFFAOYSA-N
|
| MW [Da] |
130.1
Automatically obtained from RDkit software. |
| LogP |
1.3
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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MM116974
Similarity: 0.7013
Similarity to MM116974
| Tanimoto metric | 0.7013 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8244 |
| MW: | 112.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239067
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Similarity to MM239067
| Tanimoto metric | 0.6754 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8063 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM239020
Similarity: 0.6754
Similarity to MM239020
| Tanimoto metric | 0.6754 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8063 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
