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DocumentationIdentifier: MM141944
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM141944 |
| SMILES |
CCC(=O)CC(O)CO
|
| InChIKey |
YEHSOHVSOJHCML-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM262406
Similarity: 0.9176
Similarity to MM262406
| Tanimoto metric | 0.9176 |
|---|---|
| Cosine metric | 0.9579 |
| Dice metric | 0.9571 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8843 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.68 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8702 |
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| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+382 more
