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Documentation3-acetyloxyprop-2-enoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03303 |
| SMILES |
CC(=O)OC=CC(=O)O
|
| InChIKey |
TVCAJBZEOSWVPE-UHFFFAOYSA-N
|
| MW [Da] |
130.1
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
87560593
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM260177
Similarity: 0.8462
Similarity to MM260177
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16178
Similarity: 0.7549
Similarity to MM16178
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8603 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
3-formyloxyprop-2-enoic Acid
Similarity: 0.7532
Similarity to 3-formyloxyprop-2-enoic Acid
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8679 |
| Dice metric | 0.8593 |
| MW: | 116.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
