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PUBCHEM-ZINC01131523 |
MMsINC code: MMs02776316 |
Type: Neutral Formula: C20H24N2O5
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Potential Energy Epot(MMFF94)=72.2659 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 372.421 g/mol | logS: -2.35542 | SlogP: 2.2009 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0460569 | Sterimol/B1: 2.89751 | Sterimol/B2: 3.00788 | Sterimol/B3: 5.11248 | |||
Sterimol/B4: 5.55418 | Sterimol/L: 18.9357 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 646.139 | Positive charged surface: 445.484 | Negative charged surface: 200.656 | Volume: 350.375 | |||
Hydrophobic surface: 472.883 | Hydrophilic surface: 173.256 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
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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