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DocumentationIdentifier: MM111729
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111729 |
| SMILES |
O=C(CF)C(F)CO
|
| InChIKey |
RHMKZHAUSVAMFL-UHFFFAOYSA-N
|
| MW [Da] |
124.09
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 |
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MM350993
Similarity: 0.7037
Similarity to MM350993
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8261 |
| MW: | 154.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172915
Similarity: 0.6275
Similarity to MM172915
| Tanimoto metric | 0.6275 |
|---|---|
| Cosine metric | 0.7738 |
| Dice metric | 0.7711 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137787
Similarity: 0.623
Similarity to MM137787
| Tanimoto metric | 0.623 |
|---|---|
| Cosine metric | 0.7893 |
| Dice metric | 0.7677 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
