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CHEMDIV-ZINC04563805 |
MMsINC code: MMs00937598 |
Type: Neutral Formula: C28H26N2O2
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Potential Energy Epot(MMFF94)=121.476 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 422.528 g/mol | logS: -6.27655 | SlogP: 4.90814 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.115095 | Sterimol/B1: 2.81543 | Sterimol/B2: 3.22228 | Sterimol/B3: 5.17266 | |||
Sterimol/B4: 9.92852 | Sterimol/L: 14.4711 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 651.44 | Positive charged surface: 399.621 | Negative charged surface: 251.819 | Volume: 413.875 | |||
Hydrophobic surface: 594.884 | Hydrophilic surface: 56.556 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | 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: 0 |
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