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DocumentationIdentifier: MM247660
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247660 |
| SMILES |
CN(C)C(=O)C=C(F)C#N
|
| InChIKey |
WPBSJCPOFNNGIV-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.45
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 | 0.8397 |
|---|---|
| Cosine metric | 0.9163 |
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| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.11 |
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|---|---|---|---|---|---|
| AI: | 0
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| PI: | 2
Total passive interactions
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| LogP: | 0.95 |
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| Tanimoto metric | 0.7285 |
|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.5 |
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+100 more
