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DocumentationIdentifier: MM165546
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165546 |
| SMILES |
CCC(N)CNCCF
|
| InChIKey |
IFQRZEGGCLDPCX-UHFFFAOYSA-N
|
| MW [Da] |
134.2
Automatically obtained from RDkit software. |
| LogP |
0.28
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 | 0.8272 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9054 |
| MW: | 152.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.78 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.53 |
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| AI: | 0
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+577 more
