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DocumentationIdentifier: MM45399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45399 |
| SMILES |
C#CC(F)(C#CCN)CO
|
| InChIKey |
AWWXUUUIWSEACY-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46588
Similarity: 0.7881
Similarity to MM46588
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8815 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42522
Similarity: 0.7458
Similarity to MM42522
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8544 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311679
Similarity: 0.7154
Similarity to MM311679
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8341 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
