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DocumentationIdentifier: MM328626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328626 |
| SMILES |
CCC(=N)NC(CC)CC
|
| InChIKey |
PBYYOMFQPLCYMW-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
2.15
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 | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
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| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.76 |
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Total passive interactions
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||||
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| LogP: | 2.15 |
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