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IBS-ZINC05151506 |
MMsINC code: MMs01924819 |
Type: Neutral Formula: C25H38N2O4
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Potential Energy Epot(MMFF94)=123.706 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 430.589 g/mol | logS: -4.49457 | SlogP: 3.9163 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.137379 | Sterimol/B1: 2.55314 | Sterimol/B2: 3.05629 | Sterimol/B3: 6.08134 | |||
Sterimol/B4: 11.5313 | Sterimol/L: 16.7514 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 695.851 | Positive charged surface: 569.199 | Negative charged surface: 126.652 | Volume: 432.75 | |||
Hydrophobic surface: 622.739 | Hydrophilic surface: 73.112 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | 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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