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DocumentationIdentifier: MM286535
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM286535 |
| SMILES |
CC(CC(=O)O)C(O)C=O
|
| InChIKey |
IOFIQZBIWPICJO-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM40746
Similarity: 0.7797
Similarity to MM40746
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM206639
Similarity: 0.7023
Similarity to MM206639
| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8251 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM286809
Similarity: 0.6857
Similarity to MM286809
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8136 |
| Dice metric | 0.8136 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
