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DocumentationIdentifier: MM273936
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273936 |
| SMILES |
C#CC(=CC#N)OC(C)=O
|
| InChIKey |
CYTSISPCULSOLG-UHFFFAOYSA-N
|
| MW [Da] |
135.12
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150598
Similarity: 0.7754
Similarity to MM150598
| Tanimoto metric | 0.7754 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8735 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52068
Similarity: 0.7101
Similarity to MM52068
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8305 |
| MW: | 121.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273947
Similarity: 0.6879
Similarity to MM273947
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8158 |
| Dice metric | 0.8151 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
