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DocumentationIdentifier: MM234428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234428 |
| SMILES |
N#CCC(F)(F)C#CC=O
|
| InChIKey |
YHRFWKKQPZHPBI-UHFFFAOYSA-N
|
| MW [Da] |
143.09
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139039
Similarity: 0.7636
Similarity to MM139039
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.866 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59199
Similarity: 0.7236
Similarity to MM59199
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8396 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234415
Similarity: 0.6642
Similarity to MM234415
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.7983 |
| Dice metric | 0.7982 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
