Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM47805
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47805 |
| SMILES |
CC(C#N)=C(F)C(N)=O
|
| InChIKey |
TYTDYMHPMXITEG-UHFFFAOYSA-N
|
| MW [Da] |
128.11
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73024
Similarity: 0.7069
Similarity to MM73024
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8283 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34846
Similarity: 0.6829
Similarity to MM34846
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8116 |
| MW: | 114.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM109231
Similarity: 0.6748
Similarity to MM109231
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8058 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+106 more
