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DocumentationIdentifier: MM351536
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351536 |
| SMILES |
C=CC(O)C(=O)C(F)C#N
|
| InChIKey |
NBWNQQQTEIIGNK-UHFFFAOYSA-N
|
| MW [Da] |
143.12
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47506
Similarity: 0.733
Similarity to MM47506
| Tanimoto metric | 0.733 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8459 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47505
Similarity: 0.7273
Similarity to MM47505
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82665
Similarity: 0.6341
Similarity to MM82665
| Tanimoto metric | 0.6341 |
|---|---|
| Cosine metric | 0.7771 |
| Dice metric | 0.7761 |
| MW: | 142.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+23 more
