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DocumentationIdentifier: MM111651
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111651 |
| SMILES |
O=CC(O)C(O)C=O
|
| InChIKey |
UUWVJXZLAWXQBU-UHFFFAOYSA-N
|
| MW [Da] |
118.09
Automatically obtained from RDkit software. |
| LogP |
-1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98431
Similarity: 0.88
Similarity to MM98431
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97974
Similarity: 0.76
Similarity to MM97974
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 102.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111565
Similarity: 0.6471
Similarity to MM111565
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7903 |
| Dice metric | 0.7857 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
