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DocumentationIdentifier: MM104433
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104433 |
| SMILES |
CC(O)CC(=O)CO
|
| InChIKey |
XLDKDOKPMNKVMP-UHFFFAOYSA-N
|
| MW [Da] |
118.13
Automatically obtained from RDkit software. |
| LogP |
-0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141945
Similarity: 0.7625
Similarity to MM141945
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8652 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142218
Similarity: 0.7349
Similarity to MM142218
| Tanimoto metric | 0.7349 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8472 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135356
Similarity: 0.7262
Similarity to MM135356
| Tanimoto metric | 0.7262 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8414 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+600 more
