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DocumentationIdentifier: MM381544
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381544 |
| SMILES |
CC(C(N)=O)=C(C)C(=O)O
|
| InChIKey |
UUYBLTKKYAOJKP-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM394031
Similarity: 0.7333
Similarity to MM394031
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM257828
Similarity: 0.7
Similarity to MM257828
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300511
Similarity: 0.6522
Similarity to MM300511
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.796 |
| Dice metric | 0.7895 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
