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CHEMBLOCK-ZINC04744902

 MMsINC code: MMs00576094
Type: Neutral
Formula: C10H6Cl2N2O4S2
SMILES:   Clc1cccc(Cl)c1NS(=O)(=O)c1sc([N+](=O)[O-])cc1
InChI:   InChI=1/C10H6Cl2N2O4S2/c11-6-2-1-3-7(12)10(6)13-20(17,18)9-5-4-8(19-9)14(15)16/h1-5,13H

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Potential Energy
Epot(MMFF94)=75.1322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.206 g/mol  logS: -5.5818  SlogP: 3.7639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179584  Sterimol/B1: 2.71129  Sterimol/B2: 3.90602  Sterimol/B3: 4.5633
  Sterimol/B4: 7.11572  Sterimol/L: 12.2842 
 
 Surface and Volume Properties
  Accessible surface: 468.615  Positive charged surface: 141.122  Negative charged surface: 327.493  Volume: 249.625
  Hydrophobic surface: 313.2  Hydrophilic surface: 155.415
 
 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.