Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM228558
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228558 |
| SMILES |
CC(F)C#CC(C)(F)C#N
|
| InChIKey |
ILPKOPKWAAVWNU-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM228551
Similarity: 0.8224
Similarity to MM228551
| Tanimoto metric | 0.8224 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.9026 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139082
Similarity: 0.8155
Similarity to MM139082
| Tanimoto metric | 0.8155 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139084
Similarity: 0.8155
Similarity to MM139084
| Tanimoto metric | 0.8155 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 129.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
