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DocumentationIdentifier: MM171377
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171377 |
| SMILES |
C=CC(F)=COC=CF
|
| InChIKey |
COPGZVOQASOYIX-UHFFFAOYSA-N
|
| MW [Da] |
132.11
Automatically obtained from RDkit software. |
| LogP |
2.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114811
Similarity: 0.8939
Similarity to MM114811
| Tanimoto metric | 0.8939 |
|---|---|
| Cosine metric | 0.9455 |
| Dice metric | 0.944 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371004
Similarity: 0.875
Similarity to MM371004
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9336 |
| Dice metric | 0.9333 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171376
Similarity: 0.8472
Similarity to MM171376
| Tanimoto metric | 0.8472 |
|---|---|
| Cosine metric | 0.9173 |
| Dice metric | 0.9173 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+240 more
