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DocumentationIdentifier: MM371644
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371644 |
| SMILES |
CC=CC=CC=C(F)CF
|
| InChIKey |
ZEAWWUAALYTCQU-UHFFFAOYSA-N
|
| MW [Da] |
144.16
Automatically obtained from RDkit software. |
| LogP |
2.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171481
Similarity: 0.9394
Similarity to MM171481
| Tanimoto metric | 0.9394 |
|---|---|
| Cosine metric | 0.9692 |
| Dice metric | 0.9688 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290591
Similarity: 0.8485
Similarity to MM290591
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 144.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114859
Similarity: 0.7879
Similarity to MM114859
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
