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DocumentationIdentifier: MM139040
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139040 |
| SMILES |
CCC(F)(F)C#CC#N
|
| InChIKey |
PYVKWTFULFOYJC-UHFFFAOYSA-N
|
| MW [Da] |
129.11
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59199
Similarity: 0.8137
Similarity to MM59199
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.8973 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235552
Similarity: 0.783
Similarity to MM235552
| Tanimoto metric | 0.783 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8783 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234427
Similarity: 0.7615
Similarity to MM234427
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8646 |
| MW: | 141.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
