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MAYBRIDGE-ZINC04394984 |
MMsINC code: MMs02174927 |
Type: Neutral Formula: C20H28FN5O2
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Potential Energy Epot(MMFF94)=52.998 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 389.475 g/mol | logS: -4.16547 | SlogP: 3.3785 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0817356 | Sterimol/B1: 3.49945 | Sterimol/B2: 4.61943 | Sterimol/B3: 5.52898 | |||
Sterimol/B4: 7.09569 | Sterimol/L: 18.0479 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 701.981 | Positive charged surface: 455.422 | Negative charged surface: 246.559 | Volume: 380 | |||
Hydrophobic surface: 507.862 | Hydrophilic surface: 194.119 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | 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: 1 |
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