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DocumentationIdentifier: MM388018
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388018 |
| SMILES |
N#CCC(CO)OC=CF
|
| InChIKey |
UWVZIMJNJIHVGB-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.72
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 | 0.7905 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.883 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7429 |
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| Cosine metric | 0.8619 |
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| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM156781
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| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
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| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+339 more
