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DocumentationIdentifier: MM42371
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42371 |
| SMILES |
C=CCC(O)(C=O)C=O
|
| InChIKey |
ZBDQSBGZHVFTNB-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.31
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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MM28566
Similarity: 0.8333
Similarity to MM28566
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77530
Similarity: 0.785
Similarity to MM77530
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78068
Similarity: 0.7241
Similarity to MM78068
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+166 more
