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DocumentationIdentifier: MM242279
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242279 |
| SMILES |
C=COC(=O)C(C)(C)CC
|
| InChIKey |
ABTUOFDRTJEXOY-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
2.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137815
Similarity: 0.7845
Similarity to MM137815
| Tanimoto metric | 0.7845 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8792 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353425
Similarity: 0.6963
Similarity to MM353425
| Tanimoto metric | 0.6963 |
|---|---|
| Cosine metric | 0.821 |
| Dice metric | 0.821 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242200
Similarity: 0.6791
Similarity to MM242200
| Tanimoto metric | 0.6791 |
|---|---|
| Cosine metric | 0.8093 |
| Dice metric | 0.8089 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+357 more
