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DocumentationIdentifier: MM318061
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318061 |
| SMILES |
C=CC(=O)OCC(O)C=O
|
| InChIKey |
ZEYYPMTVGVRBEQ-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144767
Similarity: 0.7946
Similarity to MM144767
| Tanimoto metric | 0.7946 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8856 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144463
Similarity: 0.7411
Similarity to MM144463
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8513 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317147
Similarity: 0.6794
Similarity to MM317147
| Tanimoto metric | 0.6794 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.8091 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
