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DocumentationIdentifier: MM150342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150342 |
| SMILES |
CCC(=CF)CC(C)=O
|
| InChIKey |
XMQWQKFCHLHHRO-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
2.23
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 | 0.8019 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| 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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MM178524
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| Tanimoto metric | 0.7753 |
|---|---|
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.23 |
||||
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