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DocumentationIdentifier: MM361396
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361396 |
| SMILES |
C=CC(=O)C(C)=CC=CF
|
| InChIKey |
WJROTVSSYSPLGQ-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.17
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 | 0.7946 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8856 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.87 |
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Total active interactions
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MM361394
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| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8299 |
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| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.26 |
||||
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