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DocumentationIdentifier: MM416950
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM416950 |
| SMILES |
C#CC(C=O)NC(C)C=O
|
| InChIKey |
XQLXXHMXSUOWDW-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34630
Similarity: 0.9059
Similarity to MM34630
| Tanimoto metric | 0.9059 |
|---|---|
| Cosine metric | 0.9506 |
| Dice metric | 0.9506 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98555
Similarity: 0.7841
Similarity to MM98555
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.879 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47600
Similarity: 0.7087
Similarity to MM47600
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8322 |
| Dice metric | 0.8295 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+63 more
