Methyl 2-cyanopropanoate
2D Structure
3D Structure
Source:
General | |
Identifier | MM02836 |
SMILES |
COC(=O)C(C)C#N
|
InChIKey |
GWHHQWUYMDWMAY-UHFFFAOYSA-N
|
MW [Da] |
113.12
Automatically obtained from RDkit software. |
LogP |
0.32
Automatically obtained from RDkit software. |
Links | |
PubChem |
247818
|
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
Methyl 2,2-dicyanoacetate
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Similarity to Methyl 2,2-dicyanoacetate
Tanimoto metric | 0.8588 |
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Cosine metric | 0.9267 |
Dice metric | 0.9241 |
MW: | 124.1 |
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PI: | 1
Total passive interactions
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LogP: | -0.18 |
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AI: | 0
Total active interactions
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Ethenyl 2-cyanopropanoate
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Similarity to Ethenyl 2-cyanopropanoate
Tanimoto metric | 0.7604 |
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Cosine metric | 0.872 |
Dice metric | 0.8639 |
MW: | 125.13 |
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PI: | 2
Total passive interactions
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LogP: | 0.83 |
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MM53499
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Similarity to MM53499
Tanimoto metric | 0.7374 |
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Cosine metric | 0.8587 |
Dice metric | 0.8488 |
MW: | 127.1 |
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PI: | 1
Total passive interactions
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LogP: | -0.5 |
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AI: | 0
Total active interactions
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+349 more