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DocumentationIdentifier: MM225549
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225549 |
| SMILES |
CC(C(=O)O)C(C)(C)CF
|
| InChIKey |
JJSQYTVNOYEEPA-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM234643
Similarity: 0.7391
Similarity to MM234643
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.85 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130729
Similarity: 0.6949
Similarity to MM130729
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8336 |
| Dice metric | 0.82 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM129850
Similarity: 0.6356
Similarity to MM129850
| Tanimoto metric | 0.6356 |
|---|---|
| Cosine metric | 0.7972 |
| Dice metric | 0.7772 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
