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DocumentationIdentifier: MM244774
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244774 |
| SMILES |
CC(C#N)CC(O)C(F)F
|
| InChIKey |
FKIJZFUEOSOYER-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42749
Similarity: 0.7961
Similarity to MM42749
| Tanimoto metric | 0.7961 |
|---|---|
| Cosine metric | 0.8923 |
| Dice metric | 0.8865 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348327
Similarity: 0.6343
Similarity to MM348327
| Tanimoto metric | 0.6343 |
|---|---|
| Cosine metric | 0.7776 |
| Dice metric | 0.7763 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326610
Similarity: 0.6288
Similarity to MM326610
| Tanimoto metric | 0.6288 |
|---|---|
| Cosine metric | 0.7728 |
| Dice metric | 0.7721 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
