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DocumentationIdentifier: MM50221
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50221 |
| SMILES |
C#CC(=O)C(O)CC#N
|
| InChIKey |
JUURUSKHKVRNIW-UHFFFAOYSA-N
|
| MW [Da] |
123.11
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM295338
Similarity: 0.7879
Similarity to MM295338
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111883
Similarity: 0.7212
Similarity to MM111883
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.838 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94589
Similarity: 0.7172
Similarity to MM94589
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8353 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+188 more
