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DocumentationIdentifier: MM143197
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM143197 |
| SMILES |
C=CC(=C)OC(C)=CF
|
| InChIKey |
VCONVGDKFPEXIW-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
2.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM334470
Similarity: 0.8854
Similarity to MM334470
| Tanimoto metric | 0.8854 |
|---|---|
| Cosine metric | 0.941 |
| Dice metric | 0.9392 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334996
Similarity: 0.8763
Similarity to MM334996
| Tanimoto metric | 0.8763 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.9341 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150556
Similarity: 0.8602
Similarity to MM150556
| Tanimoto metric | 0.8602 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9249 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+303 more
