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DocumentationIdentifier: MM137681
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137681 |
| SMILES |
C=CC(C)(C)N(C)C=O
|
| InChIKey |
ATVIWXHWKPFWFG-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.04
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 | 0.7381 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8493 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
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Total passive interactions
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Total passive interactions
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| LogP: | 1.43 |
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Total active interactions
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+314 more
