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DocumentationIdentifier: MM50210
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50210 |
| SMILES |
C#CC(=O)C(F)CCF
|
| InChIKey |
MZKZAQUKEVLLBM-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
MM233481
Similarity: 0.6494
Similarity to MM233481
| Tanimoto metric | 0.6494 |
|---|---|
| Cosine metric | 0.8058 |
| Dice metric | 0.7874 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34420
Similarity: 0.64
Similarity to MM34420
| Tanimoto metric | 0.64 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.7805 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160471
Similarity: 0.6179
Similarity to MM160471
| Tanimoto metric | 0.6179 |
|---|---|
| Cosine metric | 0.7638 |
| Dice metric | 0.7638 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
