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DocumentationIdentifier: MM334425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334425 |
| SMILES |
C=CC(=O)CC(C=O)=CN
|
| InChIKey |
HQAFWMQRBOCXNT-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264543
Similarity: 0.7519
Similarity to MM264543
| Tanimoto metric | 0.7519 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8584 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80661
Similarity: 0.708
Similarity to MM80661
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8291 |
| Dice metric | 0.8291 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67443
Similarity: 0.6301
Similarity to MM67443
| Tanimoto metric | 0.6301 |
|---|---|
| Cosine metric | 0.7731 |
| Dice metric | 0.7731 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+20 more
