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MICROSOURCE-ZINC03983937 |
MMsINC code: MMs02189616 |
Type: Neutral Formula: C22H28F2O5
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Potential Energy Epot(MMFF94)=197.484 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 410.457 g/mol | logS: -3.30745 | SlogP: 2.6835 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.169083 | Sterimol/B1: 2.30956 | Sterimol/B2: 4.24045 | Sterimol/B3: 4.24117 | |||
Sterimol/B4: 6.89264 | Sterimol/L: 16.1378 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 563.676 | Positive charged surface: 354.194 | Negative charged surface: 209.482 | Volume: 362.5 | |||
Hydrophobic surface: 314.329 | Hydrophilic surface: 249.347 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 9 | ||||||
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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