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DocumentationIdentifier: MM129898
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM129898 |
| SMILES |
CC(C)C(=O)C(F)(F)F
|
| InChIKey |
NLCCAFQWEKMQLM-UHFFFAOYSA-N
|
| MW [Da] |
140.1
Automatically obtained from RDkit software. |
| LogP |
1.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM109139
Similarity: 0.7867
Similarity to MM109139
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8806 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223889
Similarity: 0.6757
Similarity to MM223889
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.822 |
| Dice metric | 0.8065 |
| MW: | 156.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111042
Similarity: 0.6444
Similarity to MM111042
| Tanimoto metric | 0.6444 |
|---|---|
| Cosine metric | 0.7839 |
| Dice metric | 0.7838 |
| MW: | 140.06 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+166 more
