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DocumentationIdentifier: MM66398
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66398 |
| SMILES |
CCC(O)C(=O)CC(C)=O
|
| InChIKey |
BKUHSEKYCAHYEQ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
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 |
Similar entries
MM133880
Similarity: 0.8
Similarity to MM133880
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246252
Similarity: 0.8
Similarity to MM246252
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8889 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269412
Similarity: 0.768
Similarity to MM269412
| Tanimoto metric | 0.768 |
|---|---|
| Cosine metric | 0.8688 |
| Dice metric | 0.8688 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
