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MAYBRIDGE-ZINC00142241

 MMsINC code: MMs02139812
Type: Neutral
Formula: C11H13Cl2NO2S
SMILES:   ClC1(Cl)CC1CCNS(=O)(=O)c1ccccc1
InChI:   InChI=1/C11H13Cl2NO2S/c12-11(13)8-9(11)6-7-14-17(15,16)10-4-2-1-3-5-10/h1-5,9,14H,6-8H2/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=18.0561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.202 g/mol  logS: -3.43809  SlogP: 2.9687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106045  Sterimol/B1: 2.75683  Sterimol/B2: 2.8691  Sterimol/B3: 4.57733
  Sterimol/B4: 6.21055  Sterimol/L: 13.2659 
 
 Surface and Volume Properties
  Accessible surface: 496.936  Positive charged surface: 202.937  Negative charged surface: 293.999  Volume: 246.25
  Hydrophobic surface: 272.041  Hydrophilic surface: 224.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.