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DocumentationIdentifier: MM98548
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98548 |
| SMILES |
CC(F)C(=O)CF
|
| InChIKey |
ROIKWHCDLYQHCR-UHFFFAOYSA-N
|
| MW [Da] |
108.09
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM109140
Similarity: 0.7931
Similarity to MM109140
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24289
Similarity: 0.7391
Similarity to MM24289
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 90.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98547
Similarity: 0.7037
Similarity to MM98547
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8261 |
| Dice metric | 0.8261 |
| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
