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DocumentationIdentifier: MM179543
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179543 |
| SMILES |
CC#CC(C=O)=CC#N
|
| InChIKey |
RENGKCDMZQQBMF-UHFFFAOYSA-N
|
| MW [Da] |
119.12
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM385042
Similarity: 0.8738
Similarity to MM385042
| Tanimoto metric | 0.8738 |
|---|---|
| Cosine metric | 0.9348 |
| Dice metric | 0.9326 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384992
Similarity: 0.8571
Similarity to MM384992
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385046
Similarity: 0.8333
Similarity to MM385046
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
