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DocumentationIdentifier: MM403966
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403966 |
| SMILES |
O=C(O)COCC(=O)O
|
| InChIKey |
QEVGZEDELICMKH-UHFFFAOYSA-N
|
| MW [Da] |
134.09
Automatically obtained from RDkit software. |
| LogP |
-0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM314525
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| Tanimoto metric | 0.9362 |
|---|---|
| Cosine metric | 0.9676 |
| Dice metric | 0.967 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.9149 |
|---|---|
| Cosine metric | 0.9565 |
| Dice metric | 0.9556 |
| MW: | 118.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Similarity to 2-ethoxyacetic Acid
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+101 more
