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DocumentationIdentifier: MM222318
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222318 |
| SMILES |
CC(C)(C=C(F)F)C(=N)N
|
| InChIKey |
GUEAJMWIZWRHFZ-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
1.73
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 | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.7791 |
| Dice metric | 0.7782 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.37 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275836
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| Tanimoto metric | 0.6093 |
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| Cosine metric | 0.7586 |
| Dice metric | 0.7572 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+235 more
