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DocumentationIdentifier: MM94441
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94441 |
| SMILES |
C=C(C)C(N)CCCCN
|
| InChIKey |
MLJLPKICRPVHQB-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
1.02
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 | 0.881 |
|---|---|
| Cosine metric | 0.9386 |
| Dice metric | 0.9367 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.08 |
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| AI: | 0
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Total passive interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.25 |
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