Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM116095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116095 |
| SMILES |
N#CC(CF)OC=O
|
| InChIKey |
HETMLNZXPBFSHM-UHFFFAOYSA-N
|
| MW [Da] |
117.08
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44508
Similarity: 0.697
Similarity to MM44508
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26194
Similarity: 0.6377
Similarity to MM26194
| Tanimoto metric | 0.6377 |
|---|---|
| Cosine metric | 0.7985 |
| Dice metric | 0.7788 |
| MW: | 106.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26284
Similarity: 0.6232
Similarity to MM26284
| Tanimoto metric | 0.6232 |
|---|---|
| Cosine metric | 0.7894 |
| Dice metric | 0.7679 |
| MW: | 99.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
