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DocumentationIdentifier: MM44712
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44712 |
| SMILES |
CC(=O)NC(C#N)=CF
|
| InChIKey |
AVLOFLUQEHWPSQ-UHFFFAOYSA-N
|
| MW [Da] |
128.11
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM276303
Similarity: 0.7899
Similarity to MM276303
| Tanimoto metric | 0.7899 |
|---|---|
| Cosine metric | 0.8887 |
| Dice metric | 0.8826 |
| MW: | 146.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334451
Similarity: 0.7842
Similarity to MM334451
| Tanimoto metric | 0.7842 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334276
Similarity: 0.7676
Similarity to MM334276
| Tanimoto metric | 0.7676 |
|---|---|
| Cosine metric | 0.8761 |
| Dice metric | 0.8685 |
| MW: | 146.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
