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PUBCHEM-ZINC00459914

 MMsINC code: MMs02687181
Type: Neutral
Formula: C10H13Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)C
InChI:   InChI=1/C10H13Cl2NO2S/c1-10(2,3)13-16(14,15)9-6-7(11)4-5-8(9)12/h4-6,13H,1-3H3

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Potential Energy
Epot(MMFF94)=23.6218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.191 g/mol  logS: -3.67307  SlogP: 3.0702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245919  Sterimol/B1: 2.41991  Sterimol/B2: 4.60246  Sterimol/B3: 4.89265
  Sterimol/B4: 6.00002  Sterimol/L: 11.2799 
 
 Surface and Volume Properties
  Accessible surface: 425.841  Positive charged surface: 178.194  Negative charged surface: 247.647  Volume: 231.75
  Hydrophobic surface: 316.167  Hydrophilic surface: 109.674
 
 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.