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DocumentationIdentifier: MM403455
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403455 |
| SMILES |
O=CCOCC(C=O)CO
|
| InChIKey |
ZWFAYLFQPOABDO-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM402987
Similarity: 0.7927
Similarity to MM402987
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8844 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402985
Similarity: 0.7683
Similarity to MM402985
| Tanimoto metric | 0.7683 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.869 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48529
Similarity: 0.76
Similarity to MM48529
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+295 more
