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Documentation2-(1-cyanoethoxy)propanoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03188 |
| SMILES |
CC(C#N)OC(C)C(=O)O
|
| InChIKey |
UZKQEISIRRHVES-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
116413008
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 129.12 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | |||||
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| AI: | 0
Total active interactions
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MM443520
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| PI: | 2
Total passive interactions
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| LogP: | |||||
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| AI: | 0
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MM433225
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| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8273 |
| Dice metric | 0.8273 |
| MW: | 145.11 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -1.03 |
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| AI: | 0
Total active interactions
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+61 more
