(E)-3-phenylprop-2-enal
2D Structure
3D Structure
Source:
General | |
Identifier | MM00847 |
SMILES |
O=C/C=C/c1ccccc1
|
InChIKey |
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
|
MW [Da] |
132.16
Automatically obtained from RDkit software. |
LogP |
1.9
Automatically obtained from RDkit software. |
Links | |
PubChem |
637511
|
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
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Tanimoto metric | 0.7874 |
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Cosine metric | 0.8874 |
Dice metric | 0.8811 |
MW: | 146.19 |
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PI: | 4
Total passive interactions
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LogP: | 2.29 |
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AI: | 0
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Cosine metric | 0.8737 |
Dice metric | 0.8658 |
MW: | 148.16 |
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PI: | 4
Total passive interactions
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LogP: | 1.78 |
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Tanimoto metric | 0.7304 |
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Cosine metric | 0.8442 |
Dice metric | 0.8442 |
MW: | 132.21 |
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PI: | 2
Total passive interactions
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LogP: | 3.03 |
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AI: | 0
Total active interactions
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+10 more