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DocumentationIdentifier: MM144138
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144138 |
| SMILES |
C=CC(F)CNC(C)C
|
| InChIKey |
WNVKKUFGVCCLMC-UHFFFAOYSA-N
|
| MW [Da] |
131.19
Automatically obtained from RDkit software. |
| LogP |
1.51
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 | 0.831 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9077 |
| MW: | 117.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.26 |
||||
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