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DocumentationIdentifier: MM175536
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175536 |
| SMILES |
C=CC=C(F)C(=O)CF
|
| InChIKey |
GPCBSVAMVJTBIF-UHFFFAOYSA-N
|
| MW [Da] |
132.11
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112309
Similarity: 0.7476
Similarity to MM112309
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8556 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108922
Similarity: 0.7476
Similarity to MM108922
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8556 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175635
Similarity: 0.675
Similarity to MM175635
| Tanimoto metric | 0.675 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.806 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
