Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM41733
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41733 |
| SMILES |
C#CC(=O)C(C)(F)C#N
|
| InChIKey |
HIBSDCYUEWFYER-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
MM76960
Similarity: 0.8792
Similarity to MM76960
| Tanimoto metric | 0.8792 |
|---|---|
| Cosine metric | 0.9377 |
| Dice metric | 0.9357 |
| MW: | 136.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242712
Similarity: 0.8037
Similarity to MM242712
| Tanimoto metric | 0.8037 |
|---|---|
| Cosine metric | 0.8965 |
| Dice metric | 0.8912 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76959
Similarity: 0.736
Similarity to MM76959
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8479 |
| MW: | 139.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
