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DocumentationIdentifier: MM383669
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383669 |
| SMILES |
C=CC(=CCO)N(C)C=O
|
| InChIKey |
TZAHWJIWKCEWFX-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175303
Similarity: 0.7348
Similarity to MM175303
| Tanimoto metric | 0.7348 |
|---|---|
| Cosine metric | 0.8572 |
| Dice metric | 0.8472 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51955
Similarity: 0.697
Similarity to MM51955
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360280
Similarity: 0.6467
Similarity to MM360280
| Tanimoto metric | 0.6467 |
|---|---|
| Cosine metric | 0.7873 |
| Dice metric | 0.7854 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+60 more
