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DocumentationIdentifier: MM404728
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404728 |
| SMILES |
C=CC(=CNC=NC)CF
|
| InChIKey |
YFYALQNSGDCZLS-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201761
Similarity: 0.8571
Similarity to MM201761
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295343
Similarity: 0.7778
Similarity to MM295343
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.875 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171317
Similarity: 0.7245
Similarity to MM171317
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8512 |
| Dice metric | 0.8402 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
