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DocumentationIdentifier: MM275835
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275835 |
| SMILES |
CCC(C=C(F)F)C(=N)N
|
| InChIKey |
FSIRLHTUOIQBGO-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 | 0.8203 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9013 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8235 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.6 |
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| Tanimoto metric | 0.6818 |
|---|---|
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+250 more
