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PUBCHEM-ZINC05417546

 MMsINC code: MMs03262645
Type: Neutral
Formula: C13H10Cl2N2O4S
SMILES:   Clc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(cc1)C
InChI:   InChI=1/C13H10Cl2N2O4S/c1-8-2-4-10(7-13(8)17(18)19)22(20,21)16-12-6-9(14)3-5-11(12)15/h2-7,16H,1H3

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Potential Energy
Epot(MMFF94)=69.4157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.205 g/mol  logS: -5.466  SlogP: 4.01082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220621  Sterimol/B1: 3.76168  Sterimol/B2: 4.10972  Sterimol/B3: 5.19008
  Sterimol/B4: 6.09287  Sterimol/L: 11.8348 
 
 Surface and Volume Properties
  Accessible surface: 501.919  Positive charged surface: 166.296  Negative charged surface: 335.623  Volume: 276.625
  Hydrophobic surface: 365.636  Hydrophilic surface: 136.283
 
 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.