Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM28745
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28745 |
| SMILES |
CC(=O)C(C)(F)C#N
|
| InChIKey |
KEJXSPSHAWALBT-UHFFFAOYSA-N
|
| MW [Da] |
115.11
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM140113
Similarity: 0.8462
Similarity to MM140113
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM140112
Similarity: 0.7273
Similarity to MM140112
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41733
Similarity: 0.6718
Similarity to MM41733
| Tanimoto metric | 0.6718 |
|---|---|
| Cosine metric | 0.8196 |
| Dice metric | 0.8037 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+190 more
