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PUBCHEM-ZINC04097024 |
MMsINC code: MMs03090205 |
Type: Ionized Formula: C20H26O5-2
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Potential Energy Epot(MMFF94)=125.878 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 346.423 g/mol | logS: -3.75793 | SlogP: 0.4062 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.202191 | Sterimol/B1: 2.85393 | Sterimol/B2: 3.02719 | Sterimol/B3: 4.94807 | |||
Sterimol/B4: 7.11196 | Sterimol/L: 13.2287 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 508.773 | Positive charged surface: 301.752 | Negative charged surface: 207.022 | Volume: 329.875 | |||
Hydrophobic surface: 301.582 | Hydrophilic surface: 207.191 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 1 | Acid groups: 4 | Basic groups: 0 | |||
Chiral centers: 7 | ||||||
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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