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DocumentationIdentifier: MM229867
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229867 |
| SMILES |
C#CC(N)(C#C)C(F)(F)F
|
| InChIKey |
DATRDRXXRKAAIX-UHFFFAOYSA-N
|
| MW [Da] |
147.1
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131048
Similarity: 0.875
Similarity to MM131048
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 137.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139961
Similarity: 0.8173
Similarity to MM139961
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 129.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244256
Similarity: 0.6277
Similarity to MM244256
| Tanimoto metric | 0.6277 |
|---|---|
| Cosine metric | 0.7731 |
| Dice metric | 0.7713 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+27 more
