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DocumentationIdentifier: MM333841
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM333841 |
| SMILES |
C=CC(=O)NC(=CF)CO
|
| InChIKey |
FFTFLQTZJNQTPC-UHFFFAOYSA-N
|
| MW [Da] |
145.13
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
MM150414
Similarity: 0.7817
Similarity to MM150414
| Tanimoto metric | 0.7817 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8775 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142715
Similarity: 0.7254
Similarity to MM142715
| Tanimoto metric | 0.7254 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8408 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143183
Similarity: 0.7113
Similarity to MM143183
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
