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DocumentationIdentifier: MM94589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94589 |
| SMILES |
C#CC(=O)C(CC#N)OC
|
| InChIKey |
XYUWEUAAVHIQBX-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50221
Similarity: 0.7172
Similarity to MM50221
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8353 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179873
Similarity: 0.6897
Similarity to MM179873
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8163 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378012
Similarity: 0.677
Similarity to MM378012
| Tanimoto metric | 0.677 |
|---|---|
| Cosine metric | 0.8096 |
| Dice metric | 0.8074 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+169 more
