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DocumentationIdentifier: MM138193
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138193 |
| SMILES |
C=CCCC(C)(C)CN
|
| InChIKey |
PPLTYXVBNYYDSB-UHFFFAOYSA-N
|
| MW [Da] |
127.23
Automatically obtained from RDkit software. |
| LogP |
1.94
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 | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| Cosine metric | 0.8853 |
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|---|---|---|---|---|---|
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| LogP: | 2.18 |
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