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DocumentationIdentifier: MM132151
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132151 |
| SMILES |
C=COC(=O)C(C)(C)C
|
| InChIKey |
YCUBDDIKWLELPD-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108434
Similarity: 0.8182
Similarity to MM108434
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102643
Similarity: 0.7532
Similarity to MM102643
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8679 |
| Dice metric | 0.8593 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242389
Similarity: 0.7064
Similarity to MM242389
| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.828 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+397 more
