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PUBCHEM-ZINC06225686

 MMsINC code: MMs03620710
Type: Neutral
Formula: C14H12Cl2N2O4S
SMILES:   Clc1cc(NS(=O)(=O)c2ccc(OCC(=O)N)cc2)cc(Cl)c1
InChI:   InChI=1/C14H12Cl2N2O4S/c15-9-5-10(16)7-11(6-9)18-23(20,21)13-3-1-12(2-4-13)22-8-14(17)19/h1-7,18H,8H2,(H2,17,19)

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Potential Energy
Epot(MMFF94)=42.7952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.232 g/mol  logS: -4.84424  SlogP: 2.6583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090475  Sterimol/B1: 2.27092  Sterimol/B2: 5.38358  Sterimol/B3: 5.51063
  Sterimol/B4: 5.53465  Sterimol/L: 16.6636 
 
 Surface and Volume Properties
  Accessible surface: 571.162  Positive charged surface: 247.253  Negative charged surface: 323.91  Volume: 297.25
  Hydrophobic surface: 365.985  Hydrophilic surface: 205.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.