Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM385132
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385132 |
| SMILES |
C#CC(C)=C(CF)NC=O
|
| InChIKey |
BETBZJQQRQLGJO-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51182
Similarity: 0.7163
Similarity to MM51182
| Tanimoto metric | 0.7163 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8347 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51889
Similarity: 0.695
Similarity to MM51889
| Tanimoto metric | 0.695 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8201 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180855
Similarity: 0.6879
Similarity to MM180855
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8151 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
