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DocumentationIdentifier: MM137913
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137913 |
| SMILES |
COC(=O)C(C)(C)C=O
|
| InChIKey |
XFKYUMYFILZJGG-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM242346
Similarity: 0.8252
Similarity to MM242346
| Tanimoto metric | 0.8252 |
|---|---|
| Cosine metric | 0.9084 |
| Dice metric | 0.9043 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242389
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Similarity to MM242389
| Tanimoto metric | 0.7798 |
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| Cosine metric | 0.8831 |
| Dice metric | 0.8763 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111934
Similarity: 0.7647
Similarity to MM111934
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
