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DocumentationIdentifier: MM251421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251421 |
| SMILES |
CC(C)NCC(F)C=CF
|
| InChIKey |
BQCAFGBADPQXEF-UHFFFAOYSA-N
|
| MW [Da] |
149.18
Automatically obtained from RDkit software. |
| LogP |
1.81
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 | 0.8681 |
|---|---|
| Cosine metric | 0.9317 |
| Dice metric | 0.9294 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
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Total active interactions
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
