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Documentation2-oxoethyl Prop-2-enoate
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02457 |
| SMILES |
C=CC(=O)OCC=O
|
| InChIKey |
STABHOYEJKGYMU-UHFFFAOYSA-N
|
| MW [Da] |
114.1
Automatically obtained from RDkit software. |
| LogP |
-0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
21798085
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM157339
Similarity: 0.7662
Similarity to MM157339
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM98136
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| Tanimoto metric | 0.7627 |
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| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM157340
Similarity: 0.7468
Similarity to MM157340
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8551 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+339 more
