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DocumentationIdentifier: MM368947
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368947 |
| SMILES |
O=C(CO)COC=CCO
|
| InChIKey |
MYNIALIIBSZSAY-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48834
Similarity: 0.8875
Similarity to MM48834
| Tanimoto metric | 0.8875 |
|---|---|
| Cosine metric | 0.9421 |
| Dice metric | 0.9404 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368945
Similarity: 0.8068
Similarity to MM368945
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8931 |
| Dice metric | 0.8931 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68594
Similarity: 0.8023
Similarity to MM68594
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8903 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+260 more
