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IFLAB-ZINC00074760

 MMsINC code: MMs01973018
Type: Neutral
Formula: C10H13Cl2NO2S
SMILES:   Clc1cccc(Cl)c1S(=O)(=O)NCC(C)C
InChI:   InChI=1/C10H13Cl2NO2S/c1-7(2)6-13-16(14,15)10-8(11)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3

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Potential Energy
Epot(MMFF94)=15.0869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.191 g/mol  logS: -3.42219  SlogP: 2.9277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12434  Sterimol/B1: 2.3314  Sterimol/B2: 2.64627  Sterimol/B3: 4.94569
  Sterimol/B4: 6.29666  Sterimol/L: 12.4637 
 
 Surface and Volume Properties
  Accessible surface: 443.374  Positive charged surface: 207.595  Negative charged surface: 235.779  Volume: 232.25
  Hydrophobic surface: 341.477  Hydrophilic surface: 101.897
 
 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.