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DocumentationIdentifier: MM353031
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353031 |
| SMILES |
CC(OC=CF)C(=O)CO
|
| InChIKey |
SNHCXTFKWRRQPE-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162877
Similarity: 0.8034
Similarity to MM162877
| Tanimoto metric | 0.8034 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.891 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388160
Similarity: 0.6923
Similarity to MM388160
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8182 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353029
Similarity: 0.6884
Similarity to MM353029
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8155 |
| Dice metric | 0.8155 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
