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DocumentationIdentifier: MM102845
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102845 |
| SMILES |
COC=CC(C)(F)F
|
| InChIKey |
ODMWVDYHONZESP-UHFFFAOYSA-N
|
| MW [Da] |
122.11
Automatically obtained from RDkit software. |
| LogP |
1.8
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 | 0.8472 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9173 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
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| AI: | 0
Total active interactions
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MM232826
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| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8843 |
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| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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