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DocumentationIdentifier: MM403535
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403535 |
| SMILES |
CCC(C=O)OCCC=O
|
| InChIKey |
MEUKPQPBJIGXQU-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM403093
Similarity: 0.8256
Similarity to MM403093
| Tanimoto metric | 0.8256 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9045 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199006
Similarity: 0.75
Similarity to MM199006
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8596 |
| Dice metric | 0.8571 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116030
Similarity: 0.7468
Similarity to MM116030
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8551 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+552 more
