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DocumentationIdentifier: MM315708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM315708 |
| SMILES |
CC(CO)CCN(C)C=O
|
| InChIKey |
HQTSJTWEIFSVRA-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.09
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 | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292573
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| Tanimoto metric | 0.7711 |
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| Cosine metric | 0.8781 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.15 |
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| AI: | 0
Total active interactions
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MM144160
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| Tanimoto metric | 0.7349 |
|---|---|
| Cosine metric | 0.8573 |
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| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+425 more
