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DocumentationIdentifier: MM269272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269272 |
| SMILES |
C=C(CC(C)=O)C(O)CO
|
| InChIKey |
DUZWSJQCEYRBRC-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40835
Similarity: 0.7612
Similarity to MM40835
| Tanimoto metric | 0.7612 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8644 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246242
Similarity: 0.6883
Similarity to MM246242
| Tanimoto metric | 0.6883 |
|---|---|
| Cosine metric | 0.8158 |
| Dice metric | 0.8154 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM172895
Similarity: 0.6418
Similarity to MM172895
| Tanimoto metric | 0.6418 |
|---|---|
| Cosine metric | 0.8011 |
| Dice metric | 0.7818 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+278 more
