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DocumentationIdentifier: MM258780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258780 |
| SMILES |
C=C(C)CNCC(C)=CF
|
| InChIKey |
FMBNUBZYILOJMA-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.03
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 | 0.9155 |
|---|---|
| Cosine metric | 0.9568 |
| Dice metric | 0.9559 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 1.64 |
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