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DocumentationIdentifier: MM233422
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233422 |
| SMILES |
C#CCC(F)(F)C(=O)CO
|
| InChIKey |
JFRDTADLACSCSI-UHFFFAOYSA-N
|
| MW [Da] |
148.11
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172652
Similarity: 0.7292
Similarity to MM172652
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132777
Similarity: 0.6875
Similarity to MM132777
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233393
Similarity: 0.6243
Similarity to MM233393
| Tanimoto metric | 0.6243 |
|---|---|
| Cosine metric | 0.7689 |
| Dice metric | 0.7687 |
| MW: | 152.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
