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DocumentationIdentifier: MM142139
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142139 |
| SMILES |
C=CC(=O)CC(C)OC
|
| InChIKey |
DFZHIMDXEROYSC-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264314
Similarity: 0.812
Similarity to MM264314
| Tanimoto metric | 0.812 |
|---|---|
| Cosine metric | 0.9011 |
| Dice metric | 0.8962 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264315
Similarity: 0.7851
Similarity to MM264315
| Tanimoto metric | 0.7851 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8796 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80021
Similarity: 0.754
Similarity to MM80021
| Tanimoto metric | 0.754 |
|---|---|
| Cosine metric | 0.8683 |
| Dice metric | 0.8597 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+526 more
