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DocumentationIdentifier: MM171376
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171376 |
| SMILES |
C=CC(F)=COC=CC
|
| InChIKey |
XLKMSNIPEOZKIB-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
2.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM371004
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Similarity to MM371004
| Tanimoto metric | 0.971 |
|---|---|
| Cosine metric | 0.9854 |
| Dice metric | 0.9853 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM114811
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| Tanimoto metric | 0.8806 |
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| Cosine metric | 0.9384 |
| Dice metric | 0.9365 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM171377
Similarity: 0.8472
Similarity to MM171377
| Tanimoto metric | 0.8472 |
|---|---|
| Cosine metric | 0.9173 |
| Dice metric | 0.9173 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
