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ASINEX-ZINC00374983

 MMsINC code: MMs00126071
Type: Neutral
Formula: C11H10ClNO2S2
SMILES:   Clc1sc(S(=O)(=O)Nc2ccccc2C)cc1
InChI:   InChI=1/C11H10ClNO2S2/c1-8-4-2-3-5-9(8)13-17(14,15)11-7-6-10(12)16-11/h2-7,13H,1H3

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Potential Energy
Epot(MMFF94)=43.4777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.791 g/mol  logS: -4.21775  SlogP: 3.51072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.324138  Sterimol/B1: 2.16023  Sterimol/B2: 2.92251  Sterimol/B3: 5.78347
  Sterimol/B4: 6.78695  Sterimol/L: 10.8684 
 
 Surface and Volume Properties
  Accessible surface: 453.041  Positive charged surface: 182.873  Negative charged surface: 270.168  Volume: 232.875
  Hydrophobic surface: 376.962  Hydrophilic surface: 76.079
 
 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.