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DocumentationIdentifier: MM349817
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349817 |
| SMILES |
C#CC(=O)C(F)C(F)C#N
|
| InChIKey |
APRVYGCLYRIFPN-UHFFFAOYSA-N
|
| MW [Da] |
143.09
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50222
Similarity: 0.65
Similarity to MM50222
| Tanimoto metric | 0.65 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.7879 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350014
Similarity: 0.6257
Similarity to MM350014
| Tanimoto metric | 0.6257 |
|---|---|
| Cosine metric | 0.7708 |
| Dice metric | 0.7697 |
| MW: | 142.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349498
Similarity: 0.5825
Similarity to MM349498
| Tanimoto metric | 0.5825 |
|---|---|
| Cosine metric | 0.7368 |
| Dice metric | 0.7362 |
| MW: | 151.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
