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DocumentationIdentifier: MM231743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231743 |
| SMILES |
C#CC#CC(N)C(F)(F)F
|
| InChIKey |
QTQOIBOJVWLTOV-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
MM146817
Similarity: 0.8404
Similarity to MM146817
| Tanimoto metric | 0.8404 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9133 |
| MW: | 137.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224918
Similarity: 0.8404
Similarity to MM224918
| Tanimoto metric | 0.8404 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9133 |
| MW: | 129.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224405
Similarity: 0.767
Similarity to MM224405
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8681 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+181 more
