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DocumentationIdentifier: MM319740
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319740 |
| SMILES |
C=C(CCNC=O)C(C)C
|
| InChIKey |
QIRMHVVIZSJHDV-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.33
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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MM162387
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| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.09 |
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MM291871
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| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8625 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.03 |
||||
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| AI: | 0
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+350 more
