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DocumentationIdentifier: MM261515
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261515 |
| SMILES |
N#CC(F)CC(O)CCO
|
| InChIKey |
HVOWDNKNENZKDC-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
-0.02
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 | 0.7295 |
|---|---|
| Cosine metric | 0.8438 |
| Dice metric | 0.8436 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.48 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.26 |
||||
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+224 more
