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DocumentationIdentifier: MM86507
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86507 |
| SMILES |
C=CC(=CC#N)C(O)C#N
|
| InChIKey |
PKKDDBVZKQBBJM-UHFFFAOYSA-N
|
| MW [Da] |
134.14
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
MM197959
Similarity: 0.8321
Similarity to MM197959
| Tanimoto metric | 0.8321 |
|---|---|
| Cosine metric | 0.9122 |
| Dice metric | 0.9084 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180645
Similarity: 0.7591
Similarity to MM180645
| Tanimoto metric | 0.7591 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8631 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175335
Similarity: 0.7007
Similarity to MM175335
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.824 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
