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DocumentationIdentifier: MM378083
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378083 |
| SMILES |
C=CC(=O)C1NC1C#N
|
| InChIKey |
DJGOYOPXZWTASO-UHFFFAOYSA-N
|
| MW [Da] |
122.13
Automatically obtained from RDkit software. |
| LogP |
-0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM389955
Similarity: 0.8341
Similarity to MM389955
| Tanimoto metric | 0.8341 |
|---|---|
| Cosine metric | 0.9133 |
| Dice metric | 0.9095 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429359
Similarity: 0.7435
Similarity to MM429359
| Tanimoto metric | 0.7435 |
|---|---|
| Cosine metric | 0.8622 |
| Dice metric | 0.8529 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379871
Similarity: 0.7173
Similarity to MM379871
| Tanimoto metric | 0.7173 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8354 |
| MW: | 110.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+43 more
