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DocumentationIdentifier: MM50000
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50000 |
| SMILES |
CCC#CC(=N)NCC=O
|
| InChIKey |
CSGABDWXNHGTIV-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.17
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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MM50752
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| Tanimoto metric | 0.8283 |
|---|---|
| Cosine metric | 0.9101 |
| Dice metric | 0.9061 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7248 |
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| Cosine metric | 0.8416 |
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| MW: | 134.18 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.6 |
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| AI: | 0
Total active interactions
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MM282828
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| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8323 |
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| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+453 more
