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DocumentationIdentifier: MM158829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158829 |
| SMILES |
CC(=CCN)CNC=O
|
| InChIKey |
FFWFFCJOFNQWCP-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360311
Similarity: 0.9467
Similarity to MM360311
| Tanimoto metric | 0.9467 |
|---|---|
| Cosine metric | 0.973 |
| Dice metric | 0.9726 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284673
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Similarity to MM284673
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9155 |
| Dice metric | 0.9155 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306516
Similarity: 0.831
Similarity to MM306516
| Tanimoto metric | 0.831 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9077 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+362 more
