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DocumentationIdentifier: MM379871
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379871 |
| SMILES |
CC(=O)C1NC1C#N
|
| InChIKey |
GJXABHLEXPESKA-UHFFFAOYSA-N
|
| MW [Da] |
110.12
Automatically obtained from RDkit software. |
| LogP |
-0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386979
Similarity: 0.7829
Similarity to MM386979
| Tanimoto metric | 0.7829 |
|---|---|
| Cosine metric | 0.8848 |
| Dice metric | 0.8782 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378083
Similarity: 0.7173
Similarity to MM378083
| Tanimoto metric | 0.7173 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8354 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267754
Similarity: 0.7135
Similarity to MM267754
| Tanimoto metric | 0.7135 |
|---|---|
| Cosine metric | 0.8447 |
| Dice metric | 0.8328 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
