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DocumentationIdentifier: MM330512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330512 |
| SMILES |
C=CC(=O)NC(C#N)C=O
|
| InChIKey |
PQGUIRWGAQXXFC-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43020
Similarity: 0.7165
Similarity to MM43020
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8349 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80172
Similarity: 0.6642
Similarity to MM80172
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.8035 |
| Dice metric | 0.7982 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM187283
Similarity: 0.6343
Similarity to MM187283
| Tanimoto metric | 0.6343 |
|---|---|
| Cosine metric | 0.7864 |
| Dice metric | 0.7763 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
