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DocumentationIdentifier: MM351123
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351123 |
| SMILES |
CC(C#N)C(=O)CNC=O
|
| InChIKey |
MTLAKTFSSOTEKV-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28425
Similarity: 0.7364
Similarity to MM28425
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8482 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156498
Similarity: 0.7257
Similarity to MM156498
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.841 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231395
Similarity: 0.6063
Similarity to MM231395
| Tanimoto metric | 0.6063 |
|---|---|
| Cosine metric | 0.7593 |
| Dice metric | 0.7549 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
