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DocumentationIdentifier: MM162152
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162152 |
| SMILES |
COCCC(O)C(N)=O
|
| InChIKey |
LAVFYFVNRPEIGU-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108176
Similarity: 0.7708
Similarity to MM108176
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348890
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Similarity to MM348890
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM179823
Similarity: 0.6803
Similarity to MM179823
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8114 |
| Dice metric | 0.8098 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
