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DocumentationIdentifier: MM320246
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320246 |
| SMILES |
N#CC(F)C(F)(C#N)C#N
|
| InChIKey |
LPPRRIHSOKNUAR-UHFFFAOYSA-N
|
| MW [Da] |
141.08
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42380
Similarity: 0.6818
Similarity to MM42380
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8108 |
| MW: | 123.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02091
Similarity: 0.6694
Similarity to MM02091
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8052 |
| Dice metric | 0.802 |
| MW: | 137.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229851
Similarity: 0.6643
Similarity to MM229851
| Tanimoto metric | 0.6643 |
|---|---|
| Cosine metric | 0.8006 |
| Dice metric | 0.7983 |
| MW: | 148.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+10 more
