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DocumentationIdentifier: MM139730
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139730 |
| SMILES |
C=CC(C)(C=C)C=CC
|
| InChIKey |
WMUXROIWWRDSBS-UHFFFAOYSA-N
|
| MW [Da] |
122.21
Automatically obtained from RDkit software. |
| LogP |
2.94
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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MM103179
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| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM311237
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| Tanimoto metric | 0.8148 |
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| Cosine metric | 0.9027 |
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| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM132521
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Similarity to MM132521
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.8837 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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