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DocumentationIdentifier: MM285399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM285399 |
| SMILES |
C=CC=CC=C(C)C=CF
|
| InChIKey |
WDJWKABMASOFDN-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
3.16
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 | 0.9375 |
|---|---|
| Cosine metric | 0.9682 |
| Dice metric | 0.9677 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM285380
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| Cosine metric | 0.8839 |
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| MW: | 144.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.94 |
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Total active interactions
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MM107976
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| Tanimoto metric | 0.7813 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.6 |
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