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DocumentationIdentifier: MM226147
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226147 |
| SMILES |
CC(O)(CF)CC(F)C#N
|
| InChIKey |
YYNJITNXIQWXIV-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141656
Similarity: 0.6763
Similarity to MM141656
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8069 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226146
Similarity: 0.6481
Similarity to MM226146
| Tanimoto metric | 0.6481 |
|---|---|
| Cosine metric | 0.7872 |
| Dice metric | 0.7865 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225996
Similarity: 0.6061
Similarity to MM225996
| Tanimoto metric | 0.6061 |
|---|---|
| Cosine metric | 0.7556 |
| Dice metric | 0.7547 |
| MW: | 152.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+130 more
