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DocumentationIdentifier: MM296674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296674 |
| SMILES |
C#CCC(=O)C(C)=CC#N
|
| InChIKey |
YUGGMLFLIOXZHC-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175521
Similarity: 0.7698
Similarity to MM175521
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296656
Similarity: 0.7042
Similarity to MM296656
| Tanimoto metric | 0.7042 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8264 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296687
Similarity: 0.6828
Similarity to MM296687
| Tanimoto metric | 0.6828 |
|---|---|
| Cosine metric | 0.8119 |
| Dice metric | 0.8115 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+179 more
