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DocumentationIdentifier: MM275024
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275024 |
| SMILES |
COCC(O)CC(=O)O
|
| InChIKey |
IZMXMDXNRWMDCV-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261925
Similarity: 0.8113
Similarity to MM261925
| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8958 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294045
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Similarity to MM294045
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM256001
Similarity: 0.7414
Similarity to MM256001
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8515 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+129 more
