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DocumentationIdentifier: MM227991
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227991 |
| SMILES |
CC(=N)NCC(C)(O)CN
|
| InChIKey |
FQYRAYCCQALIBX-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-0.72
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 | 0.7521 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8585 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8473 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7009 |
|---|---|
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
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+200 more
