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PUBCHEM-ZINC06420108 |
MMsINC code: MMs03721786 |
Type: Neutral Formula: C24H30N4O3
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Potential Energy Epot(MMFF94)=50.511 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 422.529 g/mol | logS: -4.83281 | SlogP: 4.60397 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.102491 | Sterimol/B1: 2.47834 | Sterimol/B2: 3.86206 | Sterimol/B3: 4.40311 | |||
Sterimol/B4: 10.5932 | Sterimol/L: 16.5867 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 647.848 | Positive charged surface: 456.566 | Negative charged surface: 188.915 | Volume: 411.875 | |||
Hydrophobic surface: 504.056 | Hydrophilic surface: 143.792 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 1 | ||||||
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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