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DocumentationIdentifier: MM351518
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351518 |
| SMILES |
C=CC(C)C(=O)C(C)C=O
|
| InChIKey |
WXGDHBRFBDJTKX-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.21
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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MM410786
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| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.87 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173401
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| Tanimoto metric | 0.7677 |
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| Cosine metric | 0.8762 |
| Dice metric | 0.8686 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM160869
Similarity: 0.6869
Similarity to MM160869
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8144 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
