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DocumentationIdentifier: MM103241
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103241 |
| SMILES |
CCC(C)(C)C(C)N
|
| InChIKey |
RNZOJMNUJVGQKF-UHFFFAOYSA-N
|
| MW [Da] |
115.22
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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MM139813
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7576 |
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| Cosine metric | 0.8704 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.71 |
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| AI: | 0
Total active interactions
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MM132545
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| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8513 |
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| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
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+463 more
