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DocumentationIdentifier: MM27182
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM27182 |
| SMILES |
C=C(C=O)C(C)O
|
| InChIKey |
SPFQEHDGAPOYRW-UHFFFAOYSA-N
|
| MW [Da] |
100.12
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35686
Similarity: 0.7368
Similarity to MM35686
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111860
Similarity: 0.7089
Similarity to MM111860
| Tanimoto metric | 0.7089 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.8296 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28391
Similarity: 0.7
Similarity to MM28391
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+400 more
