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Documentation2-prop-2-enoxyacetic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03639 |
| SMILES |
C=CCOCC(=O)O
|
| InChIKey |
QXWUJRONCAPLLL-UHFFFAOYSA-N
|
| MW [Da] |
116.12
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
10997006
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM166686
Similarity: 0.7647
Similarity to MM166686
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM68505
Similarity: 0.7222
Similarity to MM68505
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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