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DocumentationIdentifier: MM54650
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54650 |
| SMILES |
CCCNCC(O)CC#N
|
| InChIKey |
JBAZMEHVQBPFSI-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155871
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Similarity to MM155871
| Tanimoto metric | 0.939 |
|---|---|
| Cosine metric | 0.969 |
| Dice metric | 0.9686 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM203009
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| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9013 |
| Dice metric | 0.9006 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM286980
Similarity: 0.7738
Similarity to MM286980
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.8769 |
| Dice metric | 0.8725 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
