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DocumentationIdentifier: MM420435
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420435 |
| SMILES |
CCC=COC(C#N)=CF
|
| InChIKey |
KHKXHHVDWOVEBO-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
2.26
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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MM200426
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| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM420955
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Similarity to MM420955
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8756 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM420929
Similarity: 0.7586
Similarity to MM420929
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8627 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
