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DocumentationIdentifier: MM382720
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382720 |
| SMILES |
C#CC(=CCN)CNC=O
|
| InChIKey |
FQCAJXJBRLONPC-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54913
Similarity: 0.8396
Similarity to MM54913
| Tanimoto metric | 0.8396 |
|---|---|
| Cosine metric | 0.9163 |
| Dice metric | 0.9128 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382903
Similarity: 0.7731
Similarity to MM382903
| Tanimoto metric | 0.7731 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.872 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293955
Similarity: 0.7521
Similarity to MM293955
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8585 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+221 more
