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DocumentationIdentifier: MM269455
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269455 |
| SMILES |
C=C(OC(C)=O)C(C)C#N
|
| InChIKey |
OFXGIMZNRLTHAJ-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173442
Similarity: 0.7348
Similarity to MM173442
| Tanimoto metric | 0.7348 |
|---|---|
| Cosine metric | 0.8572 |
| Dice metric | 0.8472 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133914
Similarity: 0.7197
Similarity to MM133914
| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263500
Similarity: 0.6358
Similarity to MM263500
| Tanimoto metric | 0.6358 |
|---|---|
| Cosine metric | 0.7792 |
| Dice metric | 0.7773 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
