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DocumentationIdentifier: MM386482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386482 |
| SMILES |
O=CCOC(CO)CC=O
|
| InChIKey |
CUYHPBPRMKHBLK-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51224
Similarity: 0.8495
Similarity to MM51224
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54215
Similarity: 0.7957
Similarity to MM54215
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386484
Similarity: 0.708
Similarity to MM386484
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.829 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
