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DocumentationIdentifier: MM28360
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28360 |
| SMILES |
CC(F)(F)C(O)C#N
|
| InChIKey |
WWFSXBPWVJMIGH-UHFFFAOYSA-N
|
| MW [Da] |
121.09
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98432
Similarity: 0.7051
Similarity to MM98432
| Tanimoto metric | 0.7051 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8271 |
| MW: | 103.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137552
Similarity: 0.6903
Similarity to MM137552
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8308 |
| Dice metric | 0.8168 |
| MW: | 139.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15450
Similarity: 0.6724
Similarity to MM15450
| Tanimoto metric | 0.6724 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.8041 |
| MW: | 131.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
