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DocumentationIdentifier: MM227779
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227779 |
| SMILES |
COC(C)(C)CCC(C)N
|
| InChIKey |
FMKLGLSTUYAPKR-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.54
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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| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.15 |
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| AI: | 0
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Total passive interactions
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