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DocumentationIdentifier: MM239192
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239192 |
| SMILES |
CCC(C)(O)CCCCN
|
| InChIKey |
RGTXTPZUYURCGM-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.28
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 | 0.7654 |
|---|---|
| Cosine metric | 0.8749 |
| Dice metric | 0.8671 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.89 |
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| AI: | 0
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Total passive interactions
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| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8376 |
| Dice metric | 0.8375 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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