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DocumentationIdentifier: MM255834
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255834 |
| SMILES |
CN(C)C(=O)C#CC(N)=O
|
| InChIKey |
VHGLSGHBFXAYFL-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-1.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56001
Similarity: 0.8681
Similarity to MM56001
| Tanimoto metric | 0.8681 |
|---|---|
| Cosine metric | 0.9304 |
| Dice metric | 0.9294 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48366
Similarity: 0.8539
Similarity to MM48366
| Tanimoto metric | 0.8539 |
|---|---|
| Cosine metric | 0.9241 |
| Dice metric | 0.9212 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146181
Similarity: 0.7753
Similarity to MM146181
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8734 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+262 more
