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DocumentationIdentifier: MM349417
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349417 |
| SMILES |
C#CC(=O)C(O)C(F)CO
|
| InChIKey |
PKBQOJMXXCYINI-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160157
Similarity: 0.7
Similarity to MM160157
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348826
Similarity: 0.6142
Similarity to MM348826
| Tanimoto metric | 0.6142 |
|---|---|
| Cosine metric | 0.7628 |
| Dice metric | 0.761 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296908
Similarity: 0.604
Similarity to MM296908
| Tanimoto metric | 0.604 |
|---|---|
| Cosine metric | 0.754 |
| Dice metric | 0.7531 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
