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DocumentationIdentifier: MM342573
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM342573 |
| SMILES |
CN=C(CO)NCC(N)=O
|
| InChIKey |
CAQVSABOVPFXJA-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.92
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 | 0.728 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8426 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.89 |
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Total active interactions
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||||
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Total passive interactions
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| LogP: | -1.44 |
||||
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| AI: | 0
Total active interactions
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+69 more
