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DocumentationIdentifier: MM337015
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM337015 |
| SMILES |
COC(=O)COCC(=O)O
|
| InChIKey |
DQPDAFDEASYJKB-UHFFFAOYSA-N
|
| MW [Da] |
148.11
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48588
Similarity: 0.9231
Similarity to MM48588
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166687
Similarity: 0.9077
Similarity to MM166687
| Tanimoto metric | 0.9077 |
|---|---|
| Cosine metric | 0.9527 |
| Dice metric | 0.9516 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291938
Similarity: 0.8082
Similarity to MM291938
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.894 |
| Dice metric | 0.8939 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
