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DocumentationIdentifier: MM312969
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312969 |
| SMILES |
COC(C(=O)O)C(C)O
|
| InChIKey |
OSIDJZDSLWJACU-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
MM333980
Similarity: 0.8095
Similarity to MM333980
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312965
Similarity: 0.7279
Similarity to MM312965
| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8426 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333874
Similarity: 0.6519
Similarity to MM333874
| Tanimoto metric | 0.6519 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7893 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
