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DocumentationIdentifier: MM269772
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269772 |
| SMILES |
C=CC(=C)C(=O)CC(=N)N
|
| InChIKey |
QDLYGZOGKCTAAT-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM269791
Similarity: 0.6183
Similarity to MM269791
| Tanimoto metric | 0.6183 |
|---|---|
| Cosine metric | 0.7643 |
| Dice metric | 0.7641 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87670
Similarity: 0.6175
Similarity to MM87670
| Tanimoto metric | 0.6175 |
|---|---|
| Cosine metric | 0.7635 |
| Dice metric | 0.7635 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269773
Similarity: 0.6064
Similarity to MM269773
| Tanimoto metric | 0.6064 |
|---|---|
| Cosine metric | 0.7552 |
| Dice metric | 0.755 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+15 more
