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DocumentationIdentifier: MM227144
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227144 |
| SMILES |
C#CC(C)(O)CC(=O)CF
|
| InChIKey |
MOUYVAPXHVAWPV-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40117
Similarity: 0.75
Similarity to MM40117
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142447
Similarity: 0.7
Similarity to MM142447
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58387
Similarity: 0.6818
Similarity to MM58387
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8135 |
| Dice metric | 0.8108 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+144 more
