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MAYBRIDGE-ZINC00091231

 MMsINC code: MMs02130320
Type: Neutral
Formula: C7H7Cl2NO2S
SMILES:   Clc1cc(Cl)c(S(=O)(=O)N)cc1C
InChI:   InChI=1/C7H7Cl2NO2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3,(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=1.30252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.11 g/mol  logS: -3.24054  SlogP: 1.94922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787233  Sterimol/B1: 2.72463  Sterimol/B2: 2.84512  Sterimol/B3: 3.53869
  Sterimol/B4: 5.6131  Sterimol/L: 10.8061 
 
 Surface and Volume Properties
  Accessible surface: 377.577  Positive charged surface: 139.584  Negative charged surface: 237.993  Volume: 178.625
  Hydrophobic surface: 256.383  Hydrophilic surface: 121.194
 
 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


MMs02130321
MAYBRIDGE-ZINC00091231