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DocumentationIdentifier: MM87697
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87697 |
| SMILES |
CCOC(C#N)CNC=O
|
| InChIKey |
HPIJLSKPBQXICP-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54278
Similarity: 0.8257
Similarity to MM54278
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24401
Similarity: 0.6475
Similarity to MM24401
| Tanimoto metric | 0.6475 |
|---|---|
| Cosine metric | 0.7869 |
| Dice metric | 0.786 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355533
Similarity: 0.624
Similarity to MM355533
| Tanimoto metric | 0.624 |
|---|---|
| Cosine metric | 0.7706 |
| Dice metric | 0.7685 |
| MW: | 149.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
