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DocumentationIdentifier: MM78839
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78839 |
| SMILES |
C#CC(=O)OCC(=O)C=C
|
| InChIKey |
UPAXBJVOKDLUJS-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM43951
Similarity: 0.7611
Similarity to MM43951
| Tanimoto metric | 0.7611 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8643 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78852
Similarity: 0.6591
Similarity to MM78852
| Tanimoto metric | 0.6591 |
|---|---|
| Cosine metric | 0.7949 |
| Dice metric | 0.7945 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319708
Similarity: 0.6444
Similarity to MM319708
| Tanimoto metric | 0.6444 |
|---|---|
| Cosine metric | 0.7839 |
| Dice metric | 0.7838 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+30 more
