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DocumentationIdentifier: MM244156
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244156 |
| SMILES |
CC(CCCC=O)C(=O)O
|
| InChIKey |
HGNLNEAUXCJQSZ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162127
Similarity: 0.9383
Similarity to MM162127
| Tanimoto metric | 0.9383 |
|---|---|
| Cosine metric | 0.9686 |
| Dice metric | 0.9682 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220901
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| Tanimoto metric | 0.9176 |
|---|---|
| Cosine metric | 0.9571 |
| Dice metric | 0.9571 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM301644
Similarity: 0.7857
Similarity to MM301644
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.88 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+456 more
