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DocumentationIdentifier: MM111446
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111446 |
| SMILES |
C#CC(F)(C#N)CF
|
| InChIKey |
ZAQJNAVQDBWDAU-UHFFFAOYSA-N
|
| MW [Da] |
115.08
Automatically obtained from RDkit software. |
| LogP |
0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139955
Similarity: 0.7143
Similarity to MM139955
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 133.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25778
Similarity: 0.625
Similarity to MM25778
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7692 |
| MW: | 97.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77819
Similarity: 0.6154
Similarity to MM77819
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.7845 |
| Dice metric | 0.7619 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
