Physical Properties | | | |
Molecular Weight: 400.522 g/mol | logS: -4.96639 | SlogP: 5.12011 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.0908615 | Sterimol/B1: 2.97312 | Sterimol/B2: 5.14601 | Sterimol/B3: 5.87944 |
Sterimol/B4: 8.06777 | Sterimol/L: 16.0904 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 698.537 | Positive charged surface: 426.205 | Negative charged surface: 268.056 | Volume: 411.375 |
Hydrophobic surface: 605.985 | Hydrophilic surface: 92.552 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 2 | | | |
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Drug- and Lead-like Properties | | | |
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 1 | |