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DocumentationIdentifier: MM220806
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220806 |
| SMILES |
CC(=O)C(C#N)C(F)(F)F
|
| InChIKey |
QLYARNZICLFLCL-UHFFFAOYSA-N
|
| MW [Da] |
151.09
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131401
Similarity: 0.6364
Similarity to MM131401
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7977 |
| Dice metric | 0.7778 |
| MW: | 137.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15645
Similarity: 0.6116
Similarity to MM15645
| Tanimoto metric | 0.6116 |
|---|---|
| Cosine metric | 0.782 |
| Dice metric | 0.759 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222837
Similarity: 0.5556
Similarity to MM222837
| Tanimoto metric | 0.5556 |
|---|---|
| Cosine metric | 0.7166 |
| Dice metric | 0.7143 |
| MW: | 154.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
