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DocumentationIdentifier: MM25886
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25886 |
| SMILES |
CC(=O)COC=O
|
| InChIKey |
WNVAJGCMEDTLIE-UHFFFAOYSA-N
|
| MW [Da] |
102.09
Automatically obtained from RDkit software. |
| LogP |
-0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113186
Similarity: 0.7778
Similarity to MM113186
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 118.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113184
Similarity: 0.7
Similarity to MM113184
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113187
Similarity: 0.7
Similarity to MM113187
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 120.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+53 more
