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DocumentationIdentifier: MM276250
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM276250 |
| SMILES |
COC(CC(C)=O)=C(F)F
|
| InChIKey |
NTSFNAFOFPCWEO-UHFFFAOYSA-N
|
| MW [Da] |
150.12
Automatically obtained from RDkit software. |
| LogP |
1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150392
Similarity: 0.797
Similarity to MM150392
| Tanimoto metric | 0.797 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.887 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273177
Similarity: 0.6667
Similarity to MM273177
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.8 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333809
Similarity: 0.6646
Similarity to MM333809
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.7985 |
| Dice metric | 0.7985 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+101 more
