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DocumentationIdentifier: MM282163
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282163 |
| SMILES |
C=CCC(=O)C=CC=CC
|
| InChIKey |
UVVAQDSGJSLSEF-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
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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MM170191
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| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158040
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| Tanimoto metric | 0.8667 |
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| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
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|---|---|---|---|---|---|
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Total active interactions
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MM366106
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Similarity to MM366106
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9231 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
