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DocumentationIdentifier: MM136229
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM136229 |
| SMILES |
CCOC(=O)C=C(N)N
|
| InChIKey |
OTXUVKAMHLAIAS-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60251
Similarity: 0.9
Similarity to MM60251
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60252
Similarity: 0.8182
Similarity to MM60252
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104867
Similarity: 0.8148
Similarity to MM104867
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
