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DocumentationIdentifier: MM351452
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351452 |
| SMILES |
C#CC(O)C(=O)C(C)CF
|
| InChIKey |
KVQOWWHPESFHEK-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50476
Similarity: 0.7123
Similarity to MM50476
| Tanimoto metric | 0.7123 |
|---|---|
| Cosine metric | 0.844 |
| Dice metric | 0.832 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47538
Similarity: 0.6781
Similarity to MM47538
| Tanimoto metric | 0.6781 |
|---|---|
| Cosine metric | 0.8235 |
| Dice metric | 0.8082 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61102
Similarity: 0.5904
Similarity to MM61102
| Tanimoto metric | 0.5904 |
|---|---|
| Cosine metric | 0.7427 |
| Dice metric | 0.7425 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
