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COMGENEX-ZINC04420091 |
MMsINC code: MMs01137857 |
Type: Neutral Formula: C24H32N4O2
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Potential Energy Epot(MMFF94)=137.161 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 408.546 g/mol | logS: -4.99266 | SlogP: 4.7871 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0438947 | Sterimol/B1: 2.92689 | Sterimol/B2: 4.48376 | Sterimol/B3: 4.8291 | |||
Sterimol/B4: 8.36067 | Sterimol/L: 20.4 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 771.917 | Positive charged surface: 595.42 | Negative charged surface: 176.497 | Volume: 419.875 | |||
Hydrophobic surface: 643.446 | Hydrophilic surface: 128.471 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 0 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 |
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