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DocumentationIdentifier: MM231428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231428 |
| SMILES |
C#CCCC(=O)C(C)(C)C
|
| InChIKey |
ZLZIKZDHXTXQJU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.02
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 | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
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| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.62 |
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| AI: | 0
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Total passive interactions
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