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DocumentationIdentifier: MM222359
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222359 |
| SMILES |
CCCC(C)(F)C(C)(C)O
|
| InChIKey |
JKCGMNHZMWLOEJ-UHFFFAOYSA-N
|
| MW [Da] |
148.22
Automatically obtained from RDkit software. |
| LogP |
2.29
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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MM130996
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| Tanimoto metric | 0.7518 |
|---|---|
| Cosine metric | 0.867 |
| Dice metric | 0.8583 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7234 |
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| Cosine metric | 0.8505 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.9 |
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MM57386
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| Tanimoto metric | 0.6746 |
|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.87 |
||||
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| AI: | 0
Total active interactions
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+221 more
