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DocumentationIdentifier: MM118758
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM118758 |
| SMILES |
CC(C#N)C(=O)C(F)C#N
|
| InChIKey |
IEUNTMRJEDTSKJ-UHFFFAOYSA-N
|
| MW [Da] |
140.12
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160874
Similarity: 0.7576
Similarity to MM160874
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8621 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223916
Similarity: 0.7303
Similarity to MM223916
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8441 |
| Dice metric | 0.8441 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02079
Similarity: 0.6386
Similarity to MM02079
| Tanimoto metric | 0.6386 |
|---|---|
| Cosine metric | 0.7797 |
| Dice metric | 0.7794 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+40 more
