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DocumentationIdentifier: MM65688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65688 |
| SMILES |
CC(=CC#N)CC(=O)CO
|
| InChIKey |
WNYGVQHRZAIUHS-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43352
Similarity: 0.7851
Similarity to MM43352
| Tanimoto metric | 0.7851 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8796 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62743
Similarity: 0.7007
Similarity to MM62743
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.824 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67382
Similarity: 0.6757
Similarity to MM67382
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8067 |
| Dice metric | 0.8065 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
