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MICROSOURCE-ZINC03978829 |
MMsINC code: MMs02189441 |
Type: Ionized Formula: C30H47O3-
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Potential Energy Epot(MMFF94)=153.513 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 455.703 g/mol | logS: -8.8822 | SlogP: 5.7548 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.174648 | Sterimol/B1: 2.40045 | Sterimol/B2: 3.76864 | Sterimol/B3: 5.20705 | |||
Sterimol/B4: 8.05006 | Sterimol/L: 16.1762 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 644.431 | Positive charged surface: 452.949 | Negative charged surface: 191.482 | Volume: 487.875 | |||
Hydrophobic surface: 469.008 | Hydrophilic surface: 175.423 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 1 | Acid groups: 2 | Basic groups: 0 | |||
Chiral centers: 10 | ||||||
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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