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PEAKDALE-ZINC01744242

 MMsINC code: MMs02615650
Type: Neutral
Formula: C11H18F3NO4S
SMILES:   S(CCC(NC(OC(C)(C)C)=O)C(OC)=O)C(F)(F)F
InChI:   InChI=1/C11H18F3NO4S/c1-10(2,3)19-9(17)15-7(8(16)18-4)5-6-20-11(12,13)14/h7H,5-6H2,1-4H3,(H,15,17)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=33.8575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.328 g/mol  logS: -3.56233  SlogP: 3.1157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0861076  Sterimol/B1: 2.13534  Sterimol/B2: 4.38738  Sterimol/B3: 4.6766
  Sterimol/B4: 7.91101  Sterimol/L: 13.7369 
 
 Surface and Volume Properties
  Accessible surface: 548.197  Positive charged surface: 310.157  Negative charged surface: 238.04  Volume: 264.875
  Hydrophobic surface: 285.194  Hydrophilic surface: 263.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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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Ions/Tautomers related molecules: no related molecules available.