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DocumentationIdentifier: MM242367
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242367 |
| SMILES |
C=CCC(=O)C(C)(F)C=C
|
| InChIKey |
QNRKKRLEXKDALX-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.05
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 | 0.7974 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.8873 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7718 |
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| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.9 |
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Total active interactions
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MM242315
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Similarity to MM242315
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8451 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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