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DocumentationIdentifier: MM87033
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87033 |
| SMILES |
C#CC(=CC=O)C(=O)NC
|
| InChIKey |
VVMBBDKTXIJRFS-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198188
Similarity: 0.8503
Similarity to MM198188
| Tanimoto metric | 0.8503 |
|---|---|
| Cosine metric | 0.9221 |
| Dice metric | 0.9191 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384620
Similarity: 0.7904
Similarity to MM384620
| Tanimoto metric | 0.7904 |
|---|---|
| Cosine metric | 0.8831 |
| Dice metric | 0.8829 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM391523
Similarity: 0.7427
Similarity to MM391523
| Tanimoto metric | 0.7427 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8523 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
