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DocumentationIdentifier: MM155073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155073 |
| SMILES |
CC(F)=CC=CC=CF
|
| InChIKey |
AKPXJBAIBWIKMV-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
2.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155072
Similarity: 0.9167
Similarity to MM155072
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9565 |
| Dice metric | 0.9565 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106638
Similarity: 0.913
Similarity to MM106638
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
| MW: | 112.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290607
Similarity: 0.88
Similarity to MM290607
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9364 |
| Dice metric | 0.9362 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
