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DocumentationIdentifier: MM281638
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281638 |
| SMILES |
CNC(=O)C=C(C)CF
|
| InChIKey |
LVYVLRBBHLBVKJ-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
0.65
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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MM266700
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| Tanimoto metric | 0.8174 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8888 |
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| MW: | 149.14 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.94 |
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Total active interactions
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| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8471 |
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| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
