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PUBCHEM-ZINC06227079

 MMsINC code: MMs03622142
Type: Neutral
Formula: C13H10ClFN2O4S
SMILES:   Clc1ccccc1CS(=O)(=O)Nc1cc([N+](=O)[O-])c(F)cc1
InChI:   InChI=1/C13H10ClFN2O4S/c14-11-4-2-1-3-9(11)8-22(20,21)16-10-5-6-12(15)13(7-10)17(18)19/h1-7,16H,8H2

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Potential Energy
Epot(MMFF94)=59.8575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.75 g/mol  logS: -4.81026  SlogP: 3.5956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0959136  Sterimol/B1: 2.97661  Sterimol/B2: 3.22443  Sterimol/B3: 4.38563
  Sterimol/B4: 5.09154  Sterimol/L: 15.2219 
 
 Surface and Volume Properties
  Accessible surface: 496.252  Positive charged surface: 197.935  Negative charged surface: 298.317  Volume: 264.625
  Hydrophobic surface: 345.541  Hydrophilic surface: 150.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.