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DocumentationIdentifier: MM160948
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160948 |
| SMILES |
C#CC(F)C(=O)C(C)C
|
| InChIKey |
NEBTZZBPKSMIQW-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
MM112056
Similarity: 0.75
Similarity to MM112056
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225768
Similarity: 0.7092
Similarity to MM225768
| Tanimoto metric | 0.7092 |
|---|---|
| Cosine metric | 0.8422 |
| Dice metric | 0.8299 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173579
Similarity: 0.6579
Similarity to MM173579
| Tanimoto metric | 0.6579 |
|---|---|
| Cosine metric | 0.795 |
| Dice metric | 0.7937 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
