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DocumentationIdentifier: MM174678
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174678 |
| SMILES |
CC#CC(=O)C(F)CF
|
| InChIKey |
YIAKIMKAWFSTFR-UHFFFAOYSA-N
|
| MW [Da] |
132.11
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM358857
Similarity: 0.8595
Similarity to MM358857
| Tanimoto metric | 0.8595 |
|---|---|
| Cosine metric | 0.9271 |
| Dice metric | 0.9244 |
| MW: | 146.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358855
Similarity: 0.8062
Similarity to MM358855
| Tanimoto metric | 0.8062 |
|---|---|
| Cosine metric | 0.8979 |
| Dice metric | 0.8927 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163667
Similarity: 0.693
Similarity to MM163667
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8187 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+378 more
