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DocumentationIdentifier: MM173161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173161 |
| SMILES |
C=COC(=O)C(O)CC
|
| InChIKey |
KGVSOPFIFAGTSN-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM293499
Similarity: 0.8295
Similarity to MM293499
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9107 |
| Dice metric | 0.9068 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293045
Similarity: 0.8231
Similarity to MM293045
| Tanimoto metric | 0.8231 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.903 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293777
Similarity: 0.7868
Similarity to MM293777
| Tanimoto metric | 0.7868 |
|---|---|
| Cosine metric | 0.887 |
| Dice metric | 0.8807 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
