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ENAMINE-ZINC05127088

 MMsINC code: MMs01590491
Type: Neutral
Formula: C14H12F2N2O6S
SMILES:   S(=O)(=O)(Nc1ccccc1OC(F)F)c1cc([N+](=O)[O-])c(OC)cc1
InChI:   InChI=1/C14H12F2N2O6S/c1-23-13-7-6-9(8-11(13)18(19)20)25(21,22)17-10-4-2-3-5-12(10)24-14(15)16/h2-8,14,17H,1H3

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Potential Energy
Epot(MMFF94)=91.1241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.32 g/mol  logS: -4.02158  SlogP: 3.4255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278756  Sterimol/B1: 2.8659  Sterimol/B2: 3.97314  Sterimol/B3: 6.28843
  Sterimol/B4: 6.73282  Sterimol/L: 13.3353 
 
 Surface and Volume Properties
  Accessible surface: 535.927  Positive charged surface: 263.747  Negative charged surface: 272.181  Volume: 284.75
  Hydrophobic surface: 300.415  Hydrophilic surface: 235.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.