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DocumentationIdentifier: MM334489
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334489 |
| SMILES |
C=CC(=O)OC(C#N)=CC
|
| InChIKey |
OUPSROIRNZGHBJ-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
MM150563
Similarity: 0.7626
Similarity to MM150563
| Tanimoto metric | 0.7626 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8653 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142843
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Similarity to MM142843
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8465 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM143201
Similarity: 0.7122
Similarity to MM143201
| Tanimoto metric | 0.7122 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8319 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+99 more
