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DocumentationIdentifier: MM131398
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131398 |
| SMILES |
CC(C)(F)C(C#N)C#N
|
| InChIKey |
OEYDSYPTNXCFCV-UHFFFAOYSA-N
|
| MW [Da] |
126.13
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02091
Similarity: 0.7826
Similarity to MM02091
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 137.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116974
Similarity: 0.75
Similarity to MM116974
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 112.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16583
Similarity: 0.6588
Similarity to MM16583
| Tanimoto metric | 0.6588 |
|---|---|
| Cosine metric | 0.7945 |
| Dice metric | 0.7943 |
| MW: | 123.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+167 more
