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DocumentationIdentifier: MM222847
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222847 |
| SMILES |
CC(=O)C(C)(O)C(C)(C)C
|
| InChIKey |
LNZWAKZTVCIJRH-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40583
Similarity: 0.7984
Similarity to MM40583
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8936 |
| Dice metric | 0.8879 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234675
Similarity: 0.6228
Similarity to MM234675
| Tanimoto metric | 0.6228 |
|---|---|
| Cosine metric | 0.7684 |
| Dice metric | 0.7675 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139888
Similarity: 0.5778
Similarity to MM139888
| Tanimoto metric | 0.5778 |
|---|---|
| Cosine metric | 0.7493 |
| Dice metric | 0.7324 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
