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DocumentationIdentifier: MM226982
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226982 |
| SMILES |
N#CC(F)(F)CC(=O)CO
|
| InChIKey |
PMOCGQUCAKQSBY-UHFFFAOYSA-N
|
| MW [Da] |
149.1
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130847
Similarity: 0.7313
Similarity to MM130847
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.8552 |
| Dice metric | 0.8448 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39974
Similarity: 0.709
Similarity to MM39974
| Tanimoto metric | 0.709 |
|---|---|
| Cosine metric | 0.842 |
| Dice metric | 0.8297 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226981
Similarity: 0.6164
Similarity to MM226981
| Tanimoto metric | 0.6164 |
|---|---|
| Cosine metric | 0.7633 |
| Dice metric | 0.7626 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
