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DocumentationIdentifier: MM330527
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330527 |
| SMILES |
C=CC(=C)OC(C#N)C#N
|
| InChIKey |
IHCHWNQEOGVXRC-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142398
Similarity: 0.898
Similarity to MM142398
| Tanimoto metric | 0.898 |
|---|---|
| Cosine metric | 0.9476 |
| Dice metric | 0.9462 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15793
Similarity: 0.7551
Similarity to MM15793
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM227102
Similarity: 0.7333
Similarity to MM227102
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8462 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
