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DocumentationIdentifier: MM209713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM209713 |
| SMILES |
CC(C#N)=COC1CC1
|
| InChIKey |
RXHVIWULDTVJKT-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1.59
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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MM456867
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| Tanimoto metric | 0.9192 |
|---|---|
| Cosine metric | 0.9587 |
| Dice metric | 0.9579 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8819 |
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| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM456765
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| Cosine metric | 0.8819 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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