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DocumentationIdentifier: MM130757
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130757 |
| SMILES |
CCC(C)(F)CC(C)=O
|
| InChIKey |
DUQPTGWPICXDRN-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
2.1
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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MM229264
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| Tanimoto metric | 0.9278 |
|---|---|
| Cosine metric | 0.9632 |
| Dice metric | 0.9626 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM221838
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| Cosine metric | 0.9303 |
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| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.28 |
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| AI: | 0
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MM226677
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| Tanimoto metric | 0.8036 |
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| Cosine metric | 0.8964 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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