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DocumentationIdentifier: MM114414
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114414 |
| SMILES |
C=CC=CC(F)=CF
|
| InChIKey |
QZFQJVAYKCREGH-UHFFFAOYSA-N
|
| MW [Da] |
116.11
Automatically obtained from RDkit software. |
| LogP |
2.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170395
Similarity: 0.8966
Similarity to MM170395
| Tanimoto metric | 0.8966 |
|---|---|
| Cosine metric | 0.9469 |
| Dice metric | 0.9455 |
| MW: | 134.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170394
Similarity: 0.8525
Similarity to MM170394
| Tanimoto metric | 0.8525 |
|---|---|
| Cosine metric | 0.9233 |
| Dice metric | 0.9204 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145873
Similarity: 0.8125
Similarity to MM145873
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 134.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
