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DocumentationIdentifier: MM222492
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222492 |
| SMILES |
CC(CC(C)(C)O)C(F)F
|
| InChIKey |
NMYODZUDSNUISU-UHFFFAOYSA-N
|
| MW [Da] |
152.18
Automatically obtained from RDkit software. |
| LogP |
2.05
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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MM133468
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| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
| MW: | 138.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM129972
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| Cosine metric | 0.8706 |
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| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.75 |
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Total active interactions
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MM244598
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| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8316 |
| MW: | 156.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+441 more
