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DocumentationIdentifier: MM221639
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221639 |
| SMILES |
CC(=CC(N)=O)C(F)(F)F
|
| InChIKey |
WAIWRGDBOBMWBU-UHFFFAOYSA-N
|
| MW [Da] |
153.1
Automatically obtained from RDkit software. |
| LogP |
0.98
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 | 0.6852 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8132 |
| MW: | 138.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8115 |
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| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| 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 | 0.6481 |
|---|---|
| Cosine metric | 0.8051 |
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| MW: | 139.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
