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DocumentationIdentifier: MM233481
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233481 |
| SMILES |
C#CC(=O)C(C)(F)CCF
|
| InChIKey |
QBDQNNFFTSUNEZ-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132687
Similarity: 0.6753
Similarity to MM132687
| Tanimoto metric | 0.6753 |
|---|---|
| Cosine metric | 0.8218 |
| Dice metric | 0.8062 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50210
Similarity: 0.6494
Similarity to MM50210
| Tanimoto metric | 0.6494 |
|---|---|
| Cosine metric | 0.8058 |
| Dice metric | 0.7874 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243835
Similarity: 0.6325
Similarity to MM243835
| Tanimoto metric | 0.6325 |
|---|---|
| Cosine metric | 0.7822 |
| Dice metric | 0.7749 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
