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DocumentationIdentifier: MM231406
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231406 |
| SMILES |
CC(C)(C)C(=O)NCC=O
|
| InChIKey |
OEDGOUBNPMUPKO-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.35
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 | 0.8427 |
|---|---|
| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9057 |
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| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8202 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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