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DocumentationIdentifier: MM135495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135495 |
| SMILES |
NC(C#CCF)C(F)(F)F
|
| InChIKey |
HQANQBJNMUPMKU-UHFFFAOYSA-N
|
| MW [Da] |
155.09
Automatically obtained from RDkit software. |
| LogP |
0.85
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: 0.8495
Similarity to MM146817
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 137.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231685
Similarity: 0.767
Similarity to MM231685
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8683 |
| Dice metric | 0.8681 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231743
Similarity: 0.7315
Similarity to MM231743
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8449 |
| MW: | 147.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
