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DocumentationIdentifier: MM247529
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247529 |
| SMILES |
CC(C=O)C(C)(C)C(=O)O
|
| InChIKey |
MUFMFNYWEMLJCP-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM258322
Similarity: 0.781
Similarity to MM258322
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.877 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132904
Similarity: 0.7714
Similarity to MM132904
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222815
Similarity: 0.7522
Similarity to MM222815
| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8586 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
