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MAYBRIDGE-ZINC04324266

 MMsINC code: MMs02166467
Type: Neutral
Formula: C14H18F3NO5S
SMILES:   S(=O)(=O)(NC(C(C)C)C(OCC)=O)c1ccc(OC(F)(F)F)cc1
InChI:   InChI=1/C14H18F3NO5S/c1-4-22-13(19)12(9(2)3)18-24(20,21)11-7-5-10(6-8-11)23-14(15,16)17/h5-9,12,18H,4H2,1-3H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=48.1745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.36 g/mol  logS: -3.87832  SlogP: 2.8711  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154075  Sterimol/B1: 2.34024  Sterimol/B2: 4.10431  Sterimol/B3: 4.89579
  Sterimol/B4: 6.96262  Sterimol/L: 15.6136 
 
 Surface and Volume Properties
  Accessible surface: 560.653  Positive charged surface: 274.48  Negative charged surface: 286.173  Volume: 300.125
  Hydrophobic surface: 295.637  Hydrophilic surface: 265.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.