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DocumentationIdentifier: MM54278
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54278 |
| SMILES |
COC(C#N)CNC=O
|
| InChIKey |
RZTJHVFTSCVUHN-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM87697
Similarity: 0.8257
Similarity to MM87697
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24401
Similarity: 0.75
Similarity to MM24401
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112872
Similarity: 0.7111
Similarity to MM112872
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8312 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
