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ANALYTICONDISCOVERY-ZINC05413515 |
MMsINC code: MMs00036706 |
Type: Neutral Formula: C20H28N6O3
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Potential Energy Epot(MMFF94)=111.827 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 400.483 g/mol | logS: -2.63894 | SlogP: 0.07227 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.225004 | Sterimol/B1: 2.31883 | Sterimol/B2: 4.05707 | Sterimol/B3: 5.09675 | |||
Sterimol/B4: 10.171 | Sterimol/L: 13.7977 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 660.784 | Positive charged surface: 476.299 | Negative charged surface: 181.892 | Volume: 384.25 | |||
Hydrophobic surface: 429.808 | Hydrophilic surface: 230.976 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 5 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
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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