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DocumentationIdentifier: MM334260
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334260 |
| SMILES |
C=CC(=CF)NC(=O)CO
|
| InChIKey |
UOALQTAXKFZMBM-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.09
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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MM143111
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| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8548 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM150537
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| Tanimoto metric | 0.7394 |
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| Cosine metric | 0.8599 |
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| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.12 |
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Total active interactions
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MM142729
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| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
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| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+175 more
