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DocumentationIdentifier: MM114887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114887 |
| SMILES |
C=CC(F)=CC=CF
|
| InChIKey |
PATPDXWKRYHVLE-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
MM107984
Similarity: 0.8148
Similarity to MM107984
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.8981 |
| Dice metric | 0.898 |
| MW: | 116.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146769
Similarity: 0.8
Similarity to MM146769
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26911
Similarity: 0.7917
Similarity to MM26911
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 98.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
