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DocumentationIdentifier: MM358982
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358982 |
| SMILES |
CCC#CC(=O)C(F)C#N
|
| InChIKey |
GHDUIQJJKQQDKG-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174696
Similarity: 0.88
Similarity to MM174696
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358988
Similarity: 0.8085
Similarity to MM358988
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8943 |
| Dice metric | 0.8941 |
| MW: | 143.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359100
Similarity: 0.7872
Similarity to MM359100
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.881 |
| MW: | 139.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
