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DocumentationIdentifier: MM349480
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349480 |
| SMILES |
N#CC(O)C(O)C(=O)CF
|
| InChIKey |
ZMESYZLDDBYHFO-UHFFFAOYSA-N
|
| MW [Da] |
147.11
Automatically obtained from RDkit software. |
| LogP |
-1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160357
Similarity: 0.7405
Similarity to MM160357
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8509 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160249
Similarity: 0.7025
Similarity to MM160249
| Tanimoto metric | 0.7025 |
|---|---|
| Cosine metric | 0.8382 |
| Dice metric | 0.8253 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348814
Similarity: 0.6484
Similarity to MM348814
| Tanimoto metric | 0.6484 |
|---|---|
| Cosine metric | 0.7878 |
| Dice metric | 0.7867 |
| MW: | 154.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+94 more
