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DocumentationIdentifier: MM172201
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172201 |
| SMILES |
CC(OC=O)C(F)C#N
|
| InChIKey |
ZPWCRRVANOYDGJ-UHFFFAOYSA-N
|
| MW [Da] |
131.11
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305135
Similarity: 0.6434
Similarity to MM305135
| Tanimoto metric | 0.6434 |
|---|---|
| Cosine metric | 0.7856 |
| Dice metric | 0.783 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179663
Similarity: 0.5748
Similarity to MM179663
| Tanimoto metric | 0.5748 |
|---|---|
| Cosine metric | 0.7323 |
| Dice metric | 0.73 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107274
Similarity: 0.5556
Similarity to MM107274
| Tanimoto metric | 0.5556 |
|---|---|
| Cosine metric | 0.7454 |
| Dice metric | 0.7143 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
