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DocumentationIdentifier: MM58122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58122 |
| SMILES |
CNCC#CCN(C)C=O
|
| InChIKey |
IGEPXMAPVBBFIE-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169143
Similarity: 0.9677
Similarity to MM169143
| Tanimoto metric | 0.9677 |
|---|---|
| Cosine metric | 0.9837 |
| Dice metric | 0.9836 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23696
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| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM23706
Similarity: 0.7361
Similarity to MM23706
| Tanimoto metric | 0.7361 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.848 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+495 more
