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DocumentationIdentifier: MM114411
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114411 |
| SMILES |
C=CC=CC(F)=CC
|
| InChIKey |
PYGUJFRUXJCGLN-UHFFFAOYSA-N
|
| MW [Da] |
112.15
Automatically obtained from RDkit software. |
| LogP |
2.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM367389
Similarity: 0.8421
Similarity to MM367389
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107981
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| Tanimoto metric | 0.8148 |
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| Cosine metric | 0.8981 |
| Dice metric | 0.898 |
| MW: | 112.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM170393
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Similarity to MM170393
| Tanimoto metric | 0.8136 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.8972 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+432 more
