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DocumentationIdentifier: MM25157
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25157 |
| SMILES |
O=CCOC=O
|
| InChIKey |
MFRMAQFRVTUENW-UHFFFAOYSA-N
|
| MW [Da] |
88.06
Automatically obtained from RDkit software. |
| LogP |
-0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23736
Similarity: 0.6923
Similarity to MM23736
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 74.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97445
Similarity: 0.6842
Similarity to MM97445
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8125 |
| MW: | 102.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97982
Similarity: 0.619
Similarity to MM97982
| Tanimoto metric | 0.619 |
|---|---|
| Cosine metric | 0.7868 |
| Dice metric | 0.7647 |
| MW: | 102.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
