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DocumentationIdentifier: MM222837
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222837 |
| SMILES |
CC(=O)C(C)(C)C(F)(F)F
|
| InChIKey |
MCNZHBZJJRPBMI-UHFFFAOYSA-N
|
| MW [Da] |
154.13
Automatically obtained from RDkit software. |
| LogP |
2.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132917
Similarity: 0.8155
Similarity to MM132917
| Tanimoto metric | 0.8155 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131030
Similarity: 0.6117
Similarity to MM131030
| Tanimoto metric | 0.6117 |
|---|---|
| Cosine metric | 0.7821 |
| Dice metric | 0.759 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM109061
Similarity: 0.6019
Similarity to MM109061
| Tanimoto metric | 0.6019 |
|---|---|
| Cosine metric | 0.7758 |
| Dice metric | 0.7515 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
