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DocumentationIdentifier: MM109050
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM109050 |
| SMILES |
CC(C)C(C)C(=O)O
|
| InChIKey |
XFOASZQZPWEJAA-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
1.36
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 | 0.7867 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8806 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| MW: | 102.13 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
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| LogP: | 1.12 |
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| AI: | 0
Total active interactions
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MM254567
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| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8811 |
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| MW: | 130.14 |
||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
