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DocumentationIdentifier: MM116033
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116033 |
| SMILES |
CCOC(C=O)CO
|
| InChIKey |
JPLAIYPBAIPGNP-UHFFFAOYSA-N
|
| MW [Da] |
118.13
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149770
Similarity: 0.8676
Similarity to MM149770
| Tanimoto metric | 0.8676 |
|---|---|
| Cosine metric | 0.9315 |
| Dice metric | 0.9291 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199009
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Similarity to MM199009
| Tanimoto metric | 0.8676 |
|---|---|
| Cosine metric | 0.9315 |
| Dice metric | 0.9291 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198868
Similarity: 0.8551
Similarity to MM198868
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+401 more
