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PUBCHEM-ZINC06424665 |
MMsINC code: MMs03724320 |
Type: Neutral Formula: C20H27FO2
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Potential Energy Epot(MMFF94)=133.836 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 318.432 g/mol | logS: -5.37075 | SlogP: 4.61317 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.121815 | Sterimol/B1: 2.38369 | Sterimol/B2: 2.55072 | Sterimol/B3: 4.69064 | |||
Sterimol/B4: 8.71434 | Sterimol/L: 14.6153 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 522.827 | Positive charged surface: 356.654 | Negative charged surface: 166.173 | Volume: 312.25 | |||
Hydrophobic surface: 355.299 | Hydrophilic surface: 167.528 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 0 | 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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