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DocumentationIdentifier: MM403441
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403441 |
| SMILES |
CCC(C=O)COCC=O
|
| InChIKey |
DPJUXHWIUJRBFR-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198832
Similarity: 0.8659
Similarity to MM198832
| Tanimoto metric | 0.8659 |
|---|---|
| Cosine metric | 0.9305 |
| Dice metric | 0.9281 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402969
Similarity: 0.8488
Similarity to MM402969
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9182 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387153
Similarity: 0.7789
Similarity to MM387153
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8761 |
| Dice metric | 0.8757 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
