2-acetylbut-3-ynal
2D Structure
3D Structure
Source:
General | |
Identifier | MM02835 |
SMILES |
C#CC(C=O)C(C)=O
|
InChIKey |
CXBJKYVDJICLFI-UHFFFAOYSA-N
|
MW [Da] |
110.11
Automatically obtained from RDkit software. |
LogP |
0.02
Automatically obtained from RDkit software. |
Links | |
PubChem |
90943273
|
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
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Tanimoto metric | 0.7949 |
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Cosine metric | 0.8916 |
Dice metric | 0.8857 |
MW: | 124.14 |
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PI: | 2
Total passive interactions
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LogP: | 0.41 |
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Cosine metric | 0.8491 |
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Cosine metric | 0.8424 |
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+185 more