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DocumentationIdentifier: MM327102
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM327102 |
| SMILES |
CCC(C=O)OC(C)C#N
|
| InChIKey |
WWDSTNHOLZTMHI-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54291
Similarity: 0.8144
Similarity to MM54291
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245415
Similarity: 0.7895
Similarity to MM245415
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8834 |
| Dice metric | 0.8824 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87849
Similarity: 0.7105
Similarity to MM87849
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8308 |
| Dice metric | 0.8308 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+429 more
