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DocumentationIdentifier: MM67473
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67473 |
| SMILES |
CNC=C(C#N)OC(C)=O
|
| InChIKey |
LHSYGOZOJIPYSN-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44731
Similarity: 0.7985
Similarity to MM44731
| Tanimoto metric | 0.7985 |
|---|---|
| Cosine metric | 0.8936 |
| Dice metric | 0.888 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51966
Similarity: 0.7239
Similarity to MM51966
| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8398 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276311
Similarity: 0.6605
Similarity to MM276311
| Tanimoto metric | 0.6605 |
|---|---|
| Cosine metric | 0.7955 |
| Dice metric | 0.7955 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+54 more
