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DocumentationIdentifier: MM334493
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334493 |
| SMILES |
C=CC(=O)OC(C#N)=CF
|
| InChIKey |
YZGCWAUDSXXXGZ-UHFFFAOYSA-N
|
| MW [Da] |
141.1
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150564
Similarity: 0.7746
Similarity to MM150564
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.873 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143202
Similarity: 0.7254
Similarity to MM143202
| Tanimoto metric | 0.7254 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8408 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142843
Similarity: 0.7183
Similarity to MM142843
| Tanimoto metric | 0.7183 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8361 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+27 more
