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DocumentationIdentifier: MM253086
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253086 |
| SMILES |
O=CC=C(F)C#CC(F)F
|
| InChIKey |
UKZRYQAJBKLSRY-UHFFFAOYSA-N
|
| MW [Da] |
148.08
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146242
Similarity: 0.766
Similarity to MM146242
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 134.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108016
Similarity: 0.7021
Similarity to MM108016
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.825 |
| MW: | 112.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253098
Similarity: 0.6729
Similarity to MM253098
| Tanimoto metric | 0.6729 |
|---|---|
| Cosine metric | 0.8055 |
| Dice metric | 0.8045 |
| MW: | 144.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
