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DocumentationIdentifier: MM175449
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175449 |
| SMILES |
CC(=CCO)C(=O)CO
|
| InChIKey |
HXFRXYFBHPFBFO-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
-0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM90770
Similarity: 0.825
Similarity to MM90770
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35952
Similarity: 0.8081
Similarity to MM35952
| Tanimoto metric | 0.8081 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8939 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72339
Similarity: 0.7857
Similarity to MM72339
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+548 more
