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DocumentationIdentifier: MM250683
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250683 |
| SMILES |
COCC(O)COC(C)=O
|
| InChIKey |
JEDSBSJEOMARSR-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144334
Similarity: 0.908
Similarity to MM144334
| Tanimoto metric | 0.908 |
|---|---|
| Cosine metric | 0.9529 |
| Dice metric | 0.9518 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83096
Similarity: 0.8276
Similarity to MM83096
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316737
Similarity: 0.7596
Similarity to MM316737
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8634 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+383 more
