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DocumentationIdentifier: MM82547
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82547 |
| SMILES |
C=C(C#N)C(O)C(=C)C=O
|
| InChIKey |
LZYGHIBAPMKHIH-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47426
Similarity: 0.68
Similarity to MM47426
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8095 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350859
Similarity: 0.6474
Similarity to MM350859
| Tanimoto metric | 0.6474 |
|---|---|
| Cosine metric | 0.7972 |
| Dice metric | 0.786 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142818
Similarity: 0.56
Similarity to MM142818
| Tanimoto metric | 0.56 |
|---|---|
| Cosine metric | 0.7483 |
| Dice metric | 0.7179 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
