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DocumentationIdentifier: MM54647
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54647 |
| SMILES |
C#CC(=CCN)NC=O
|
| InChIKey |
CNXLIQIBEIIVSB-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386595
Similarity: 0.8519
Similarity to MM386595
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54643
Similarity: 0.7797
Similarity to MM54643
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116596
Similarity: 0.7717
Similarity to MM116596
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.8712 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
