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DocumentationIdentifier: MM224407
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224407 |
| SMILES |
C=CC(=CC)CC(F)(F)F
|
| InChIKey |
YQBOLPLRGGQWKP-UHFFFAOYSA-N
|
| MW [Da] |
150.14
Automatically obtained from RDkit software. |
| LogP |
3.07
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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| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM130200
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| Tanimoto metric | 0.7527 |
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| Cosine metric | 0.8676 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.68 |
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|---|---|---|---|---|---|
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Total active interactions
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MM130246
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| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
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| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+570 more
