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DocumentationIdentifier: MM50270
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50270 |
| SMILES |
C=CCC(=O)C(O)CF
|
| InChIKey |
FRCNGBPXFHHQSW-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM353323
Similarity: 0.8175
Similarity to MM353323
| Tanimoto metric | 0.8175 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8996 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297293
Similarity: 0.7923
Similarity to MM297293
| Tanimoto metric | 0.7923 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269280
Similarity: 0.7357
Similarity to MM269280
| Tanimoto metric | 0.7357 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8477 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
