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PUBCHEM-ZINC02728382

 MMsINC code: MMs02912680
Type: Neutral
Formula: C19H14Cl2N2O6S2
SMILES:   Clc1ccc(S(=O)(=O)N(S(=O)(=O)c2ccc(Cl)cc2)c2cccc([N+](=O)[O-]
)c2C)cc1
InChI:   InChI=1/C19H14Cl2N2O6S2/c1-13-18(22(24)25)3-2-4-19(13)23(30(26,27)16-9-5-14(20)6-10-16)31(28,29)17-11-7-15(21)8-12-17/h2-12H,1H3

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Potential Energy
Epot(MMFF94)=93.8191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 501.367 g/mol  logS: -7.40696  SlogP: 4.79422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158942  Sterimol/B1: 2.3498  Sterimol/B2: 5.78174  Sterimol/B3: 5.88114
  Sterimol/B4: 7.06576  Sterimol/L: 16.9445 
 
 Surface and Volume Properties
  Accessible surface: 640.151  Positive charged surface: 214.657  Negative charged surface: 425.494  Volume: 384.625
  Hydrophobic surface: 498.118  Hydrophilic surface: 142.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.