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DocumentationIdentifier: MM234745
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234745 |
| SMILES |
CC(=O)C(C)(F)C(O)C=O
|
| InChIKey |
BIUYALHLTOCKIX-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40589
Similarity: 0.734
Similarity to MM40589
| Tanimoto metric | 0.734 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8466 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225664
Similarity: 0.6697
Similarity to MM225664
| Tanimoto metric | 0.6697 |
|---|---|
| Cosine metric | 0.8026 |
| Dice metric | 0.8022 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160267
Similarity: 0.6277
Similarity to MM160267
| Tanimoto metric | 0.6277 |
|---|---|
| Cosine metric | 0.7922 |
| Dice metric | 0.7712 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+21 more
