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DocumentationIdentifier: MM173844
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173844 |
| SMILES |
C=CCC(=O)C(=C)C=C
|
| InChIKey |
ZRGJCXQLGISOKZ-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.87
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 | 0.8272 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9054 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7864 |
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| Cosine metric | 0.8868 |
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| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
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Similarity to MM354106
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8663 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
