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DocumentationIdentifier: MM226568
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226568 |
| SMILES |
C#CC(F)(F)CC(F)CO
|
| InChIKey |
LUYYMTNOADNQGT-UHFFFAOYSA-N
|
| MW [Da] |
152.12
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130005
Similarity: 0.6897
Similarity to MM130005
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8163 |
| MW: | 142.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220615
Similarity: 0.6279
Similarity to MM220615
| Tanimoto metric | 0.6279 |
|---|---|
| Cosine metric | 0.7757 |
| Dice metric | 0.7714 |
| MW: | 160.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226041
Similarity: 0.6154
Similarity to MM226041
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.7661 |
| Dice metric | 0.7619 |
| MW: | 158.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
