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DocumentationIdentifier: MM25718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25718 |
| SMILES |
CCC(F)(F)C#N
|
| InChIKey |
PYNWBHDQARGDHJ-UHFFFAOYSA-N
|
| MW [Da] |
105.09
Automatically obtained from RDkit software. |
| LogP |
1.56
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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MM28575
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| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 116.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103088
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| Tanimoto metric | 0.7077 |
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| Cosine metric | 0.8412 |
| Dice metric | 0.8288 |
| MW: | 119.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM24487
Similarity: 0.6522
Similarity to MM24487
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.7895 |
| MW: | 87.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+155 more
