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PUBCHEM-ZINC06520209

 MMsINC code: MMs03778718
Type: Neutral
Formula: C14H15ClN2O4S
SMILES:   Clc1ccccc1SC=1N(COCCO)C(=O)NC(=O)C=1C
InChI:   InChI=1/C14H15ClN2O4S/c1-9-12(19)16-14(20)17(8-21-7-6-18)13(9)22-11-5-3-2-4-10(11)15/h2-5,18H,6-8H2,1H3,(H,16,19,20)

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Potential Energy
Epot(MMFF94)=38.7488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.803 g/mol  logS: -3.8744  SlogP: 2.1818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263665  Sterimol/B1: 2.55472  Sterimol/B2: 3.36155  Sterimol/B3: 6.45962
  Sterimol/B4: 7.4044  Sterimol/L: 13.5904 
 
 Surface and Volume Properties
  Accessible surface: 528.677  Positive charged surface: 294.037  Negative charged surface: 234.64  Volume: 290.375
  Hydrophobic surface: 346.601  Hydrophilic surface: 182.076
 
 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.