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ENAMINE-ZINC05602435

 MMsINC code: MMs01626393
Type: Neutral
Formula: C14H14ClNO4S2
SMILES:   Clc1ccccc1S(=O)(=O)Nc1sc(C(OCC)=O)c(c1)C
InChI:   InChI=1/C14H14ClNO4S2/c1-3-20-14(17)13-9(2)8-12(21-13)16-22(18,19)11-7-5-4-6-10(11)15/h4-8,16H,3H2,1-2H3

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Potential Energy
Epot(MMFF94)=33.8402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.854 g/mol  logS: -4.76835  SlogP: 3.68742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172623  Sterimol/B1: 2.72654  Sterimol/B2: 4.32821  Sterimol/B3: 4.83159
  Sterimol/B4: 7.53413  Sterimol/L: 14.5324 
 
 Surface and Volume Properties
  Accessible surface: 558.393  Positive charged surface: 288.305  Negative charged surface: 270.087  Volume: 295.75
  Hydrophobic surface: 431.463  Hydrophilic surface: 126.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.