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DocumentationIdentifier: MM224983
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224983 |
| SMILES |
C#CC(=O)NCC(C)(C)C
|
| InChIKey |
DHVUHAYJEJFPHC-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.78
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 | 0.7238 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8398 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.15 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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+476 more
