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DocumentationIdentifier: MM26193
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26193 |
| SMILES |
CC(CO)OC=O
|
| InChIKey |
YPCKHFAYLAIVCX-UHFFFAOYSA-N
|
| MW [Da] |
104.11
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM115974
Similarity: 0.8333
Similarity to MM115974
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25824
Similarity: 0.6667
Similarity to MM25824
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.8 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34391
Similarity: 0.6557
Similarity to MM34391
| Tanimoto metric | 0.6557 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.7921 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
