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DocumentationIdentifier: MM15645
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15645 |
| SMILES |
CC(=O)C(C#N)CF
|
| InChIKey |
JJDODWAERLKJCE-UHFFFAOYSA-N
|
| MW [Da] |
115.11
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM181040
Similarity: 0.6435
Similarity to MM181040
| Tanimoto metric | 0.6435 |
|---|---|
| Cosine metric | 0.8022 |
| Dice metric | 0.7831 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02830
Similarity: 0.6364
Similarity to MM02830
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7781 |
| Dice metric | 0.7778 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220806
Similarity: 0.6116
Similarity to MM220806
| Tanimoto metric | 0.6116 |
|---|---|
| Cosine metric | 0.782 |
| Dice metric | 0.759 |
| MW: | 151.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
