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DocumentationIdentifier: MM228180
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228180 |
| SMILES |
CC(=O)OCC(C)(C)C=O
|
| InChIKey |
GXYDISAHHSQZRO-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM341376
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| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8664 |
| Dice metric | 0.8659 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM41911
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| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8591 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+394 more
