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DocumentationIdentifier: MM275831
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275831 |
| SMILES |
CC(C)=CC(CF)C(=N)N
|
| InChIKey |
QZCMHJSMVRJHRD-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.47
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 | 0.832 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9083 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.698 |
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| Cosine metric | 0.8222 |
| Dice metric | 0.8221 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.59 |
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|---|---|---|---|---|---|
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Total active interactions
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MM134105
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| Tanimoto metric | 0.672 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8038 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
