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DocumentationIdentifier: MM350558
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350558 |
| SMILES |
CC(CO)C(=O)OCC=O
|
| InChIKey |
HGSNHHKJJGSVNJ-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50245
Similarity: 0.8317
Similarity to MM50245
| Tanimoto metric | 0.8317 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9081 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269161
Similarity: 0.7119
Similarity to MM269161
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8317 |
| Dice metric | 0.8317 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350560
Similarity: 0.7083
Similarity to MM350560
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8293 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
