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Documentation3-methoxyprop-2-enoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03672 |
| SMILES |
COC=CC(=O)O
|
| InChIKey |
VFUQDUGKYYDRMT-UHFFFAOYSA-N
|
| MW [Da] |
102.09
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
53414726
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM286529
Similarity: 0.8214
Similarity to MM286529
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261072
Similarity: 0.807
Similarity to MM261072
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
3-formyloxyprop-2-enoic Acid
Similarity: 0.7931
Similarity to 3-formyloxyprop-2-enoic Acid
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 116.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+179 more
