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PUBCHEM-ZINC00082488

 MMsINC code: MMs02632030
Type: Neutral
Formula: C11H9Cl2NO2S2
SMILES:   Clc1ccsc1CNS(=O)(=O)c1ccccc1Cl
InChI:   InChI=1/C11H9Cl2NO2S2/c12-8-5-6-17-10(8)7-14-18(15,16)11-4-2-1-3-9(11)13/h1-6,14H,7H2

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Potential Energy
Epot(MMFF94)=34.1314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.236 g/mol  logS: -4.26601  SlogP: 3.7998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108179  Sterimol/B1: 2.71644  Sterimol/B2: 3.73588  Sterimol/B3: 4.86995
  Sterimol/B4: 5.11342  Sterimol/L: 13.9876 
 
 Surface and Volume Properties
  Accessible surface: 477.23  Positive charged surface: 153.741  Negative charged surface: 323.489  Volume: 245.5
  Hydrophobic surface: 396.513  Hydrophilic surface: 80.717
 
 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.