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DocumentationIdentifier: MM409442
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409442 |
| SMILES |
C=COC(=O)C(C=O)CO
|
| InChIKey |
SKWVBZUVKKOVOW-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197310
Similarity: 0.7672
Similarity to MM197310
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8683 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Ethenyl 2-methyl-3-oxopropanoate
Similarity: 0.75
Similarity to Ethenyl 2-methyl-3-oxopropanoate
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242280
Similarity: 0.6496
Similarity to MM242280
| Tanimoto metric | 0.6496 |
|---|---|
| Cosine metric | 0.7879 |
| Dice metric | 0.7876 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
