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DocumentationIdentifier: MM280248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280248 |
| SMILES |
O=CC=COC(=O)CCO
|
| InChIKey |
WRABZZFDEYJABO-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156900
Similarity: 0.8602
Similarity to MM156900
| Tanimoto metric | 0.8602 |
|---|---|
| Cosine metric | 0.9275 |
| Dice metric | 0.9249 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280136
Similarity: 0.8039
Similarity to MM280136
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8913 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253265
Similarity: 0.7477
Similarity to MM253265
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8556 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
