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DocumentationIdentifier: MM155795
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155795 |
| SMILES |
CCOC(C)COC=O
|
| InChIKey |
XVYXDNPJEZUULC-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291467
Similarity: 0.7037
Similarity to MM291467
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8275 |
| Dice metric | 0.8261 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144353
Similarity: 0.6941
Similarity to MM144353
| Tanimoto metric | 0.6941 |
|---|---|
| Cosine metric | 0.8233 |
| Dice metric | 0.8194 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198704
Similarity: 0.642
Similarity to MM198704
| Tanimoto metric | 0.642 |
|---|---|
| Cosine metric | 0.7822 |
| Dice metric | 0.782 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
