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DocumentationIdentifier: MM293085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293085 |
| SMILES |
CCCN(C)C(=N)CC=O
|
| InChIKey |
MWXYMMPYRNIODQ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM74373
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Similarity to MM74373
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8158 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54888
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| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8153 |
| Dice metric | 0.8142 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349021
Similarity: 0.6452
Similarity to MM349021
| Tanimoto metric | 0.6452 |
|---|---|
| Cosine metric | 0.7853 |
| Dice metric | 0.7843 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+404 more
