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DocumentationIdentifier: MM239133
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239133 |
| SMILES |
CC(CC=O)CCC(=O)O
|
| InChIKey |
TXQYBTGIHPIJLY-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 |
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| Tanimoto metric | 0.9041 |
|---|---|
| Cosine metric | 0.9508 |
| Dice metric | 0.9496 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
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Total active interactions
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MM206640
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| Tanimoto metric | 0.8193 |
|---|---|
| Cosine metric | 0.9012 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.87 |
||||
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Total active interactions
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+437 more
