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DocumentationIdentifier: MM319922
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319922 |
| SMILES |
COC(C)(C=O)C(O)CO
|
| InChIKey |
AOOBHZHAGMELDZ-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139906
Similarity: 0.7358
Similarity to MM139906
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242003
Similarity: 0.6914
Similarity to MM242003
| Tanimoto metric | 0.6914 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8176 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137627
Similarity: 0.673
Similarity to MM137627
| Tanimoto metric | 0.673 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8045 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
