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DocumentationIdentifier: MM71780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71780 |
| SMILES |
CCCN(C)C(=O)CC=O
|
| InChIKey |
JEGFMWAUXXKLQG-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM293572
Similarity: 0.7672
Similarity to MM293572
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8684 |
| Dice metric | 0.8683 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349027
Similarity: 0.7434
Similarity to MM349027
| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8531 |
| Dice metric | 0.8528 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342798
Similarity: 0.6916
Similarity to MM342798
| Tanimoto metric | 0.6916 |
|---|---|
| Cosine metric | 0.8232 |
| Dice metric | 0.8177 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+642 more
