Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM50222
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50222 |
| SMILES |
C#CC(=O)C(F)CC#N
|
| InChIKey |
GXMBRWCZOXAYHK-UHFFFAOYSA-N
|
| MW [Da] |
125.1
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58884
Similarity: 0.7376
Similarity to MM58884
| Tanimoto metric | 0.7376 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.849 |
| MW: | 143.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58883
Similarity: 0.6624
Similarity to MM58883
| Tanimoto metric | 0.6624 |
|---|---|
| Cosine metric | 0.8139 |
| Dice metric | 0.7969 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349817
Similarity: 0.65
Similarity to MM349817
| Tanimoto metric | 0.65 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.7879 |
| MW: | 143.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
