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DocumentationIdentifier: MM113141
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113141 |
| SMILES |
CN=C(N)CCC=O
|
| InChIKey |
YBKDLMSSPZFRAD-UHFFFAOYSA-N
|
| MW [Da] |
114.15
Automatically obtained from RDkit software. |
| LogP |
-0.05
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 | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.73 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7159 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.34 |
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| Tanimoto metric | 0.7079 |
|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+84 more
