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DocumentationIdentifier: MM395960
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM395960 |
| SMILES |
C#CC(=O)C1NC1C
|
| InChIKey |
FGNKEQDATIFHOU-UHFFFAOYSA-N
|
| MW [Da] |
109.13
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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MM388099
Similarity: 0.8314
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| Tanimoto metric | 0.8314 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9066 |
| Dice metric | 0.9022 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.27 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7989 |
|---|---|
| Cosine metric | 0.8938 |
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| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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