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DocumentationIdentifier: MM272134
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272134 |
| SMILES |
C=CCC(C=O)OC(C)C
|
| InChIKey |
GGXVNLGBVIZVTK-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261675
Similarity: 0.81
Similarity to MM261675
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.895 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387195
Similarity: 0.7304
Similarity to MM387195
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8455 |
| Dice metric | 0.8442 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387489
Similarity: 0.7155
Similarity to MM387489
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8342 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
