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APOLLO-ZINC00160572

 MMsINC code: MMs00045873
Type: Neutral
Formula: C7H7Cl2NO2S
SMILES:   Clc1cc(Cl)cc(C)c1S(=O)(=O)N
InChI:   InChI=1/C7H7Cl2NO2S/c1-4-2-5(8)3-6(9)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=15.3262 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: 0.12057  Sterimol/B1: 2.30839  Sterimol/B2: 2.86891  Sterimol/B3: 3.18112
  Sterimol/B4: 7.20935  Sterimol/L: 11.1364 
 
 Surface and Volume Properties
  Accessible surface: 371.555  Positive charged surface: 137.001  Negative charged surface: 234.554  Volume: 179.25
  Hydrophobic surface: 262.239  Hydrophilic surface: 109.316
 
 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


MMs00045874
APOLLO-ZINC00160572