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DocumentationIdentifier: MM41736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41736 |
| SMILES |
C#CC(C)(F)C(=O)CO
|
| InChIKey |
XXFBCPXZADUKPA-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
MM77011
Similarity: 0.8733
Similarity to MM77011
| Tanimoto metric | 0.8733 |
|---|---|
| Cosine metric | 0.9345 |
| Dice metric | 0.9324 |
| MW: | 140.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58924
Similarity: 0.7706
Similarity to MM58924
| Tanimoto metric | 0.7706 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307399
Similarity: 0.736
Similarity to MM307399
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8479 |
| MW: | 144.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
