Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM171563
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171563 |
| SMILES |
O=CC=CC=C(F)C=O
|
| InChIKey |
PWQGUYVCCSITHJ-UHFFFAOYSA-N
|
| MW [Da] |
128.1
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114888
Similarity: 0.9032
Similarity to MM114888
| Tanimoto metric | 0.9032 |
|---|---|
| Cosine metric | 0.9504 |
| Dice metric | 0.9492 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146770
Similarity: 0.8571
Similarity to MM146770
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9241 |
| Dice metric | 0.9231 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106639
Similarity: 0.8065
Similarity to MM106639
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
