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DocumentationIdentifier: MM54408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54408 |
| SMILES |
C=CC(C=O)OCC=O
|
| InChIKey |
YJRXVRZZVKNXFX-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199284
Similarity: 0.8571
Similarity to MM199284
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9231 |
| Dice metric | 0.9231 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141839
Similarity: 0.7595
Similarity to MM141839
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8633 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388942
Similarity: 0.75
Similarity to MM388942
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+278 more
