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DocumentationIdentifier: MM146181
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM146181 |
| SMILES |
CNC(=O)C#CC(N)=O
|
| InChIKey |
XRWCNIRFQKHLJO-UHFFFAOYSA-N
|
| MW [Da] |
126.12
Automatically obtained from RDkit software. |
| LogP |
-1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM323714
Similarity: 0.9718
Similarity to MM323714
| Tanimoto metric | 0.9718 |
|---|---|
| Cosine metric | 0.9858 |
| Dice metric | 0.9857 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35730
Similarity: 0.8592
Similarity to MM35730
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9242 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37262
Similarity: 0.8406
Similarity to MM37262
| Tanimoto metric | 0.8406 |
|---|---|
| Cosine metric | 0.9168 |
| Dice metric | 0.9134 |
| MW: | 111.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
