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ASINEX-ZINC00029489

 MMsINC code: MMs00059807
Type: Neutral
Formula: C10H13Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NC(CC)C
InChI:   InChI=1/C10H13Cl2NO2S/c1-3-7(2)13-16(14,15)10-6-8(11)4-5-9(10)12/h4-7,13H,3H2,1-2H3/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=0.402974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.191 g/mol  logS: -3.54763  SlogP: 3.0702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.23819  Sterimol/B1: 2.49981  Sterimol/B2: 3.70723  Sterimol/B3: 5.18706
  Sterimol/B4: 6.5215  Sterimol/L: 11.2283 
 
 Surface and Volume Properties
  Accessible surface: 441.286  Positive charged surface: 191.511  Negative charged surface: 249.775  Volume: 233.25
  Hydrophobic surface: 336.746  Hydrophilic surface: 104.54
 
 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.