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DocumentationIdentifier: MM132095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132095 |
| SMILES |
COCC(=O)C(F)(F)F
|
| InChIKey |
VFHWOFWWKNIJIX-UHFFFAOYSA-N
|
| MW [Da] |
142.08
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108352
Similarity: 0.8025
Similarity to MM108352
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 124.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102633
Similarity: 0.7654
Similarity to MM102633
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8749 |
| Dice metric | 0.8671 |
| MW: | 128.05 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162506
Similarity: 0.6771
Similarity to MM162506
| Tanimoto metric | 0.6771 |
|---|---|
| Cosine metric | 0.8075 |
| Dice metric | 0.8075 |
| MW: | 138.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+204 more
