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DocumentationIdentifier: MM41034
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41034 |
| SMILES |
CC(=O)NC(C)CC=O
|
| InChIKey |
SOYLQPBXNGCSNB-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.1
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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MM272349
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| Tanimoto metric | 0.8454 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9162 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8634 |
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| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.72 |
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| AI: | 0
Total active interactions
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MM302859
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| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8625 |
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| MW: | 115.18 |
||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
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|
+226 more
