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DocumentationIdentifier: MM263740
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263740 |
| SMILES |
C=CC(=O)OC(=C)CC#N
|
| InChIKey |
LHJAEIPQIYGDKQ-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142761
Similarity: 0.8016
Similarity to MM142761
| Tanimoto metric | 0.8016 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8899 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263500
Similarity: 0.7092
Similarity to MM263500
| Tanimoto metric | 0.7092 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8299 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263739
Similarity: 0.7014
Similarity to MM263739
| Tanimoto metric | 0.7014 |
|---|---|
| Cosine metric | 0.8248 |
| Dice metric | 0.8245 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
