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DocumentationIdentifier: MM316900
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316900 |
| SMILES |
COC(=O)COC(C)CO
|
| InChIKey |
YQRIUBCSMZHIJO-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM307620
Similarity: 0.7955
Similarity to MM307620
| Tanimoto metric | 0.7955 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8861 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144630
Similarity: 0.7727
Similarity to MM144630
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM316716
Similarity: 0.7292
Similarity to MM316716
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8434 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
