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DocumentationIdentifier: MM347078
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM347078 |
| SMILES |
O=CCOCC(=O)O
|
| InChIKey |
DNQIKJLNGVXFBP-UHFFFAOYSA-N
|
| MW [Da] |
118.09
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM403966
Similarity: 0.9149
Similarity to MM403966
| Tanimoto metric | 0.9149 |
|---|---|
| Cosine metric | 0.9565 |
| Dice metric | 0.9556 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-ethoxyacetic Acid
Similarity: 0.8837
Similarity to 2-ethoxyacetic Acid
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM314525
Similarity: 0.8511
Similarity to MM314525
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9196 |
| Dice metric | 0.9195 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
