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DocumentationIdentifier: MM377645
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377645 |
| SMILES |
CCC(=O)C(CO)OC=O
|
| InChIKey |
XXQJGSWHHZCWHG-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179890
Similarity: 0.7574
Similarity to MM179890
| Tanimoto metric | 0.7574 |
|---|---|
| Cosine metric | 0.8703 |
| Dice metric | 0.8619 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172575
Similarity: 0.7059
Similarity to MM172575
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM293665
Similarity: 0.5976
Similarity to MM293665
| Tanimoto metric | 0.5976 |
|---|---|
| Cosine metric | 0.7486 |
| Dice metric | 0.7481 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+40 more
