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DocumentationIdentifier: MM224021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224021 |
| SMILES |
CC(=NO)C(C)C(C)(C)C
|
| InChIKey |
NJANWDAFHNWBOX-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
2.52
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 | 0.8316 |
|---|---|
| Cosine metric | 0.9119 |
| Dice metric | 0.908 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.52 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.27 |
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