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DocumentationIdentifier: MM155927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155927 |
| SMILES |
CC(CC=O)CCC=O
|
| InChIKey |
REOYKRDMVBXLRN-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107183
Similarity: 0.9048
Similarity to MM107183
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9512 |
| Dice metric | 0.95 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112626
Similarity: 0.8571
Similarity to MM112626
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198627
Similarity: 0.7826
Similarity to MM198627
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.878 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
