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DocumentationIdentifier: MM313778
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313778 |
| SMILES |
C=C(CO)OCC(=O)O
|
| InChIKey |
VNCKLJVAQTWZNV-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM298641
Similarity: 0.7831
Similarity to MM298641
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36440
Similarity: 0.7108
Similarity to MM36440
| Tanimoto metric | 0.7108 |
|---|---|
| Cosine metric | 0.8431 |
| Dice metric | 0.831 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292465
Similarity: 0.6505
Similarity to MM292465
| Tanimoto metric | 0.6505 |
|---|---|
| Cosine metric | 0.7885 |
| Dice metric | 0.7882 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
