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DocumentationIdentifier: MM73067
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73067 |
| SMILES |
CC(O)C(F)COCC#N
|
| InChIKey |
NAKHTRZBRQZSNH-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84478
Similarity: 0.6742
Similarity to MM84478
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8064 |
| Dice metric | 0.8054 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34366
Similarity: 0.6381
Similarity to MM34366
| Tanimoto metric | 0.6381 |
|---|---|
| Cosine metric | 0.7988 |
| Dice metric | 0.7791 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48479
Similarity: 0.6381
Similarity to MM48479
| Tanimoto metric | 0.6381 |
|---|---|
| Cosine metric | 0.7988 |
| Dice metric | 0.7791 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
