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DocumentationIdentifier: MM76959
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76959 |
| SMILES |
C#CC(=O)C(F)(C#N)C=O
|
| InChIKey |
KIECMQJYDVWVDD-UHFFFAOYSA-N
|
| MW [Da] |
139.09
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41733
Similarity: 0.736
Similarity to MM41733
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8479 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76960
Similarity: 0.6684
Similarity to MM76960
| Tanimoto metric | 0.6684 |
|---|---|
| Cosine metric | 0.8044 |
| Dice metric | 0.8012 |
| MW: | 136.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41732
Similarity: 0.6573
Similarity to MM41732
| Tanimoto metric | 0.6573 |
|---|---|
| Cosine metric | 0.8107 |
| Dice metric | 0.7932 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+22 more
