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DocumentationIdentifier: MM171533
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171533 |
| SMILES |
C=CC(F)=CC=COC
|
| InChIKey |
YDXGABAOJMSTBP-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
2.19
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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MM371498
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| Tanimoto metric | 0.8452 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9161 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106625
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| Tanimoto metric | 0.7887 |
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| Cosine metric | 0.8881 |
| Dice metric | 0.8819 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM155034
Similarity: 0.6667
Similarity to MM155034
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8001 |
| Dice metric | 0.8 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
