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DocumentationIdentifier: MM52323
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52323 |
| SMILES |
C#CC(NC=O)C(=C)C
|
| InChIKey |
WGEYVYNINGWHFA-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM379016
Similarity: 0.7817
Similarity to MM379016
| Tanimoto metric | 0.7817 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8775 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378980
Similarity: 0.7603
Similarity to MM378980
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.8719 |
| Dice metric | 0.8638 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378923
Similarity: 0.7603
Similarity to MM378923
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.8719 |
| Dice metric | 0.8638 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
