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DocumentationIdentifier: MM353674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353674 |
| SMILES |
C=CN(C)C(=O)CC=CF
|
| InChIKey |
SOMOKRBHDZVYDK-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.46
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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MM173459
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| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.9002 |
| Dice metric | 0.8952 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.68 |
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Total active interactions
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| Tanimoto metric | 0.6591 |
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| Cosine metric | 0.7959 |
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| MW: | 147.12 |
||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.42 |
||||
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Total active interactions
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