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DocumentationIdentifier: MM202070
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM202070 |
| SMILES |
C=CC(C#N)=CC=CC
|
| InChIKey |
AYOYDGBGHYYFSB-UHFFFAOYSA-N
|
| MW [Da] |
119.17
Automatically obtained from RDkit software. |
| LogP |
2.2
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 | 0.9189 |
|---|---|
| Cosine metric | 0.9586 |
| Dice metric | 0.9577 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM405739
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| Dice metric | 0.9577 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM347686
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|---|---|
| Cosine metric | 0.9586 |
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| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
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