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DocumentationIdentifier: MM197609
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197609 |
| SMILES |
C=CC(CN)C(C)=CF
|
| InChIKey |
PYJPXQWYYMWUSW-UHFFFAOYSA-N
|
| MW [Da] |
129.18
Automatically obtained from RDkit software. |
| LogP |
1.62
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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MM180145
Similarity: 0.7714
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| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.871 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 1.88 |
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|---|---|---|---|---|---|
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Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+583 more
