Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM42423
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42423 |
| SMILES |
C#CC(F)(C#N)CC#N
|
| InChIKey |
PXAJBFOUHOZIBD-UHFFFAOYSA-N
|
| MW [Da] |
122.1
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103133
Similarity: 0.6635
Similarity to MM103133
| Tanimoto metric | 0.6635 |
|---|---|
| Cosine metric | 0.8145 |
| Dice metric | 0.7977 |
| MW: | 111.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306738
Similarity: 0.6624
Similarity to MM306738
| Tanimoto metric | 0.6624 |
|---|---|
| Cosine metric | 0.8139 |
| Dice metric | 0.7969 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197160
Similarity: 0.608
Similarity to MM197160
| Tanimoto metric | 0.608 |
|---|---|
| Cosine metric | 0.7567 |
| Dice metric | 0.7562 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+152 more
