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AURORAFEINCHEMIE-ZINC05347173 |
MMsINC code: MMs00474395 |
Type: Neutral Formula: C24H24FN3O3
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Potential Energy Epot(MMFF94)=114.913 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 421.472 g/mol | logS: -4.72138 | SlogP: 2.89877 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.146339 | Sterimol/B1: 2.53298 | Sterimol/B2: 4.16491 | Sterimol/B3: 5.76231 | |||
Sterimol/B4: 8.3905 | Sterimol/L: 15.9329 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 614.896 | Positive charged surface: 355.834 | Negative charged surface: 259.062 | Volume: 387.875 | |||
Hydrophobic surface: 471.265 | Hydrophilic surface: 143.631 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 5 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
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