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DocumentationIdentifier: MM112563
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112563 |
| SMILES |
CCC(F)CCOC
|
| InChIKey |
KHIYMXJMFGQICI-UHFFFAOYSA-N
|
| MW [Da] |
120.17
Automatically obtained from RDkit software. |
| LogP |
1.77
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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MM165528
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| Tanimoto metric | 0.8226 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.9027 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8997 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.55 |
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| AI: | 0
Total active interactions
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MM97302
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| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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