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DocumentationIdentifier: MM02091
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02091 |
| SMILES |
CC(F)(C#N)C(C#N)C#N
|
| InChIKey |
OCDPYTSLSFBQEK-UHFFFAOYSA-N
|
| MW [Da] |
137.12
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131398
Similarity: 0.7826
Similarity to MM131398
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16583
Similarity: 0.75
Similarity to MM16583
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 123.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42380
Similarity: 0.7041
Similarity to MM42380
| Tanimoto metric | 0.7041 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8263 |
| MW: | 123.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
