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ENAMINE-ZINC03259413

 MMsINC code: MMs01335778
Type: Neutral
Formula: C10H7Cl2NO2S2
SMILES:   Clc1ccc(Cl)cc1NS(=O)(=O)c1ccsc1
InChI:   InChI=1/C10H7Cl2NO2S2/c11-7-1-2-9(12)10(5-7)13-17(14,15)8-3-4-16-6-8/h1-6,13H

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Potential Energy
Epot(MMFF94)=40.8611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.209 g/mol  logS: -4.16905  SlogP: 3.8557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.286519  Sterimol/B1: 3.06002  Sterimol/B2: 4.20656  Sterimol/B3: 5.00449
  Sterimol/B4: 5.46081  Sterimol/L: 11.1789 
 
 Surface and Volume Properties
  Accessible surface: 442.983  Positive charged surface: 118.512  Negative charged surface: 324.471  Volume: 231.375
  Hydrophobic surface: 366.673  Hydrophilic surface: 76.31
 
 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.