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ENAMINE-ZINC00308014

 MMsINC code: MMs01228293
Type: Neutral
Formula: C14H12F2N2O4S
SMILES:   S(=O)(=O)(N(C(F)F)c1cc([N+](=O)[O-])ccc1)c1ccc(cc1)C
InChI:   InChI=1/C14H12F2N2O4S/c1-10-5-7-13(8-6-10)23(21,22)17(14(15)16)11-3-2-4-12(9-11)18(19)20/h2-9,14H,1H3

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Potential Energy
Epot(MMFF94)=47.0612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.322 g/mol  logS: -4.47032  SlogP: 3.74102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151262  Sterimol/B1: 3.80123  Sterimol/B2: 4.00095  Sterimol/B3: 4.01552
  Sterimol/B4: 6.61668  Sterimol/L: 13.4801 
 
 Surface and Volume Properties
  Accessible surface: 512.722  Positive charged surface: 206.462  Negative charged surface: 306.26  Volume: 273.625
  Hydrophobic surface: 316.891  Hydrophilic surface: 195.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.