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DocumentationIdentifier: MM48467
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48467 |
| SMILES |
CCC(O)CCNC=O
|
| InChIKey |
GCQLZARFDLWQKY-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-0.11
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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MM291236
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| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8961 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8928 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.5 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
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| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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