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DocumentationIdentifier: MM137831
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137831 |
| SMILES |
COC(C)(C)C(=O)CO
|
| InChIKey |
NLJAQNHRAJMDCI-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58806
Similarity: 0.7939
Similarity to MM58806
| Tanimoto metric | 0.7939 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8851 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103347
Similarity: 0.7212
Similarity to MM103347
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.838 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM307114
Similarity: 0.6933
Similarity to MM307114
| Tanimoto metric | 0.6933 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8189 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
