Identifier: MM47002
2D Structure
3D Structure
Source:
General | |
Identifier | MM47002 |
SMILES |
C=COC(=O)C#CC=O
|
InChIKey |
DZDOXNYBECIVFR-UHFFFAOYSA-N
|
MW [Da] |
124.1
Automatically obtained from RDkit software. |
LogP |
-0.12
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 | 0.8556 |
---|---|
Cosine metric | 0.925 |
Dice metric | 0.9222 |
MW: | 140.09 |
||||
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PI: | 2
Total passive interactions
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LogP: | -0.24 |
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Cosine metric | 0.9188 |
Dice metric | 0.9155 |
MW: | 110.11 |
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Total passive interactions
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LogP: | 0.7 |
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Tanimoto metric | 0.7701 |
---|---|
Cosine metric | 0.8701 |
Dice metric | 0.8701 |
MW: | 126.11 |
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PI: | 2
Total passive interactions
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LogP: | -0.33 |
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AI: | 0
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+129 more