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DocumentationIdentifier: MM236017
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236017 |
| SMILES |
CC(=CC(=O)O)C(C)(C)O
|
| InChIKey |
GJCGXFLYLJPRIH-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM245222
Similarity: 0.7591
Similarity to MM245222
| Tanimoto metric | 0.7591 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8631 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132290
Similarity: 0.7226
Similarity to MM132290
| Tanimoto metric | 0.7226 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.839 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132258
Similarity: 0.6642
Similarity to MM132258
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.815 |
| Dice metric | 0.7982 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
