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ASINEX-ZINC00796933

 MMsINC code: MMs00168103
Type: Neutral
Formula: C14H18Cl2N2O4S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCC1OCCC1)C
InChI:   InChI=1/C14H18Cl2N2O4S/c1-18(9-14(19)17-8-11-3-2-6-22-11)23(20,21)13-7-10(15)4-5-12(13)16/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=58.8008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.28 g/mol  logS: -3.63461  SlogP: 1.9091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.043754  Sterimol/B1: 2.01383  Sterimol/B2: 2.84992  Sterimol/B3: 4.23296
  Sterimol/B4: 8.82441  Sterimol/L: 17.0911 
 
 Surface and Volume Properties
  Accessible surface: 588.528  Positive charged surface: 339.081  Negative charged surface: 249.448  Volume: 313.375
  Hydrophobic surface: 486.738  Hydrophilic surface: 101.79
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.