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DocumentationIdentifier: MM24442
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24442 |
| SMILES |
CN(C=O)CC(F)=CC#N
|
| InChIKey |
LFEOHPPTOGPEMF-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143000
Similarity: 0.7965
Similarity to MM143000
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8867 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47094
Similarity: 0.7699
Similarity to MM47094
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265700
Similarity: 0.6923
Similarity to MM265700
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8182 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
