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DocumentationIdentifier: MM244767
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244767 |
| SMILES |
CC(C)C(O)CC(F)C#N
|
| InChIKey |
UDCAYUGLOFSJPF-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.26
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 | 0.7258 |
|---|---|
| Cosine metric | 0.8417 |
| Dice metric | 0.8411 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| 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: | -0.02 |
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| AI: | 0
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+236 more
