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DocumentationIdentifier: MM80794
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80794 |
| SMILES |
C#CC(=O)OC(C=O)=CN
|
| InChIKey |
MJPDGGLYBSTVOY-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
-0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43305
Similarity: 0.7246
Similarity to MM43305
| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8403 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67472
Similarity: 0.6485
Similarity to MM67472
| Tanimoto metric | 0.6485 |
|---|---|
| Cosine metric | 0.7868 |
| Dice metric | 0.7868 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276310
Similarity: 0.6386
Similarity to MM276310
| Tanimoto metric | 0.6386 |
|---|---|
| Cosine metric | 0.7795 |
| Dice metric | 0.7794 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+8 more
