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DocumentationIdentifier: MM86506
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86506 |
| SMILES |
C=CC(=CC#N)C(O)C=O
|
| InChIKey |
QGXDXKLHUQRUFV-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
MM197958
Similarity: 0.7651
Similarity to MM197958
| Tanimoto metric | 0.7651 |
|---|---|
| Cosine metric | 0.8747 |
| Dice metric | 0.8669 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175334
Similarity: 0.7114
Similarity to MM175334
| Tanimoto metric | 0.7114 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8314 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180645
Similarity: 0.698
Similarity to MM180645
| Tanimoto metric | 0.698 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8221 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
