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DocumentationIdentifier: MM172198
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172198 |
| SMILES |
C=COC(C)C(F)C=C
|
| InChIKey |
IJLOQXLCJKZGSY-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
2.06
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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MM352875
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| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111585
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| Tanimoto metric | 0.7714 |
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| Cosine metric | 0.8783 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.55 |
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Total active interactions
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MM108126
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| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8338 |
| Dice metric | 0.8202 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
