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DocumentationIdentifier: MM220755
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220755 |
| SMILES |
CC(O)C(C#N)C(F)(F)F
|
| InChIKey |
XTKCPJDZCJUMCH-UHFFFAOYSA-N
|
| MW [Da] |
153.1
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180974
Similarity: 0.8279
Similarity to MM180974
| Tanimoto metric | 0.8279 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9058 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388283
Similarity: 0.6415
Similarity to MM388283
| Tanimoto metric | 0.6415 |
|---|---|
| Cosine metric | 0.7833 |
| Dice metric | 0.7816 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232007
Similarity: 0.5563
Similarity to MM232007
| Tanimoto metric | 0.5563 |
|---|---|
| Cosine metric | 0.7188 |
| Dice metric | 0.7149 |
| MW: | 153.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+193 more
