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CHEMBRIDGE-ZINC01203941 |
MMsINC code: MMs00687298 |
Type: Neutral Formula: C28H29NO4
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Potential Energy Epot(MMFF94)=114.072 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 443.543 g/mol | logS: -4.89427 | SlogP: 5.309 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.191934 | Sterimol/B1: 2.097 | Sterimol/B2: 4.60381 | Sterimol/B3: 6.38065 | |||
Sterimol/B4: 8.85273 | Sterimol/L: 17.7904 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 699.795 | Positive charged surface: 441.222 | Negative charged surface: 258.573 | Volume: 432.375 | |||
Hydrophobic surface: 566.297 | Hydrophilic surface: 133.498 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 |
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