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DocumentationIdentifier: MM28674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28674 |
| SMILES |
CC(O)C(C)(O)C=O
|
| InChIKey |
SWWUSDZVEAZVPR-UHFFFAOYSA-N
|
| MW [Da] |
118.13
Automatically obtained from RDkit software. |
| LogP |
-0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41556
Similarity: 0.8261
Similarity to MM41556
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131032
Similarity: 0.8172
Similarity to MM131032
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.8994 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139940
Similarity: 0.8085
Similarity to MM139940
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+508 more
