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DocumentationIdentifier: MM264543
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264543 |
| SMILES |
C=C(C=O)CC(=O)C=CN
|
| InChIKey |
AAKMTAKAIZUVJG-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
MM41288
Similarity: 0.787
Similarity to MM41288
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8808 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334425
Similarity: 0.7519
Similarity to MM334425
| 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
|
MM264425
Similarity: 0.7258
Similarity to MM264425
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8411 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
