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DocumentationIdentifier: MM325420
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325420 |
| SMILES |
C#CC(F)=CNC(=O)CF
|
| InChIKey |
UYODKYCDRHFBCW-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146733
Similarity: 0.8016
Similarity to MM146733
| Tanimoto metric | 0.8016 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8899 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146409
Similarity: 0.7619
Similarity to MM146409
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325880
Similarity: 0.6733
Similarity to MM325880
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8048 |
| Dice metric | 0.8048 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
