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DocumentationIdentifier: MM15828
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15828 |
| SMILES |
CC(C#N)OC(C#N)C=O
|
| InChIKey |
JYZMLSJKODYGIM-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199288
Similarity: 0.9241
Similarity to MM199288
| Tanimoto metric | 0.9241 |
|---|---|
| Cosine metric | 0.9613 |
| Dice metric | 0.9605 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15841
Similarity: 0.8987
Similarity to MM15841
| Tanimoto metric | 0.8987 |
|---|---|
| Cosine metric | 0.948 |
| Dice metric | 0.9467 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42801
Similarity: 0.8608
Similarity to MM42801
| Tanimoto metric | 0.8608 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9252 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
