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DocumentationIdentifier: MM102482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102482 |
| SMILES |
CC(C)(O)C(C)(C)F
|
| InChIKey |
CFOIQWACFNTMNS-UHFFFAOYSA-N
|
| MW [Da] |
120.17
Automatically obtained from RDkit software. |
| LogP |
1.51
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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MM25568
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| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 106.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97122
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| Tanimoto metric | 0.7143 |
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| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 106.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM130997
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| Tanimoto metric | 0.6731 |
|---|---|
| Cosine metric | 0.8204 |
| Dice metric | 0.8046 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
