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DocumentationHexane-2,4-dione
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02948 |
| SMILES |
CCC(=O)CC(C)=O
|
| InChIKey |
NDOGLIPWGGRQCO-UHFFFAOYSA-N
|
| MW [Da] |
114.14
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
76355
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.9111 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.33 |
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| AI: | 0
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| PI: | 4
Total passive interactions
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| LogP: | 2.16 |
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| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8264 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.77 |
||||
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+120 more
