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DocumentationIdentifier: MM47539
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47539 |
| SMILES |
C#CC(F)C(=O)C(C)O
|
| InChIKey |
BLEKTVNYKYHARN-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
-0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351456
Similarity: 0.7588
Similarity to MM351456
| Tanimoto metric | 0.7588 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.8629 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351470
Similarity: 0.7457
Similarity to MM351470
| Tanimoto metric | 0.7457 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8543 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351699
Similarity: 0.733
Similarity to MM351699
| Tanimoto metric | 0.733 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8459 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+141 more
