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ENAMINE-ZINC06599715

 MMsINC code: MMs01682654
Type: Neutral
Formula: C15H14ClNO4S
SMILES:   Clc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)C)cc2)cc1
InChI:   InChI=1/C15H14ClNO4S/c1-22(19,20)14-8-4-12(5-9-14)17-15(18)10-21-13-6-2-11(16)3-7-13/h2-9H,10H2,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=84.0416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.799 g/mol  logS: -4.30667  SlogP: 2.761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223514  Sterimol/B1: 2.27626  Sterimol/B2: 3.68171  Sterimol/B3: 4.22631
  Sterimol/B4: 4.43714  Sterimol/L: 20.0224 
 
 Surface and Volume Properties
  Accessible surface: 570.341  Positive charged surface: 267.272  Negative charged surface: 303.069  Volume: 288.625
  Hydrophobic surface: 449.557  Hydrophilic surface: 120.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.