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DocumentationIdentifier: MM352388
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352388 |
| SMILES |
C=CC(=O)C(=C)C(C)C=O
|
| InChIKey |
ZUVQQBDOZNSYDS-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.13
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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MM161044
Similarity: 0.75
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| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM161228
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| Tanimoto metric | 0.6953 |
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| Cosine metric | 0.8339 |
| Dice metric | 0.8203 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.95 |
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MM351986
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Similarity to MM351986
| Tanimoto metric | 0.6258 |
|---|---|
| Cosine metric | 0.7699 |
| Dice metric | 0.7698 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
