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DocumentationIdentifier: MM170371
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170371 |
| SMILES |
O=COC=CC(F)=CF
|
| InChIKey |
YLPXPIKXMNRMEE-UHFFFAOYSA-N
|
| MW [Da] |
134.08
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM106336
Similarity: 0.75
Similarity to MM106336
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 116.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170370
Similarity: 0.6739
Similarity to MM170370
| Tanimoto metric | 0.6739 |
|---|---|
| Cosine metric | 0.8058 |
| Dice metric | 0.8052 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170333
Similarity: 0.6702
Similarity to MM170333
| Tanimoto metric | 0.6702 |
|---|---|
| Cosine metric | 0.8027 |
| Dice metric | 0.8025 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
