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DocumentationIdentifier: MM125829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM125829 |
| SMILES |
O=CNCCC=CF
|
| InChIKey |
LPFHUSMNPHZBRJ-UHFFFAOYSA-N
|
| MW [Da] |
117.12
Automatically obtained from RDkit software. |
| LogP |
0.61
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 | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7255 |
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| Cosine metric | 0.8518 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.31 |
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|---|---|---|---|---|---|
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Total active interactions
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
