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DocumentationIdentifier: MM160471
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160471 |
| SMILES |
C#CC(=O)C(F)C(C)C
|
| InChIKey |
WZEFNVACOAWIDU-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM300062
Similarity: 0.792
Similarity to MM300062
| Tanimoto metric | 0.792 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8839 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM109086
Similarity: 0.6364
Similarity to MM109086
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7977 |
| Dice metric | 0.7778 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50210
Similarity: 0.6179
Similarity to MM50210
| Tanimoto metric | 0.6179 |
|---|---|
| Cosine metric | 0.7638 |
| Dice metric | 0.7638 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
