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DocumentationIdentifier: MM327094
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM327094 |
| SMILES |
C=CC(CC)OC(C)C=O
|
| InChIKey |
RSIMMTZVBHQIRP-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
MM327098
Similarity: 0.787
Similarity to MM327098
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8808 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149766
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Similarity to MM149766
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341051
Similarity: 0.7094
Similarity to MM341051
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.8304 |
| Dice metric | 0.83 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+567 more
