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DocumentationIdentifier: MM256172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM256172 |
| SMILES |
CC(=O)C(C)=CC=C(F)F
|
| InChIKey |
HDQUERDWFJKNTF-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
2.3
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 | 0.8641 |
|---|---|
| Cosine metric | 0.9296 |
| Dice metric | 0.9271 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7063 |
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| Cosine metric | 0.8286 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.17 |
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Total active interactions
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MM361318
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.4 |
||||
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| AI: | 0
Total active interactions
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