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VITASM-ZINC04741054

 MMsINC code: MMs03963714
Type: Ionized
Formula: C15H13ClNO5S-
SMILES:   Clc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)[O-]
InChI:   InChI=1/C15H14ClNO5S/c16-13-8-12(6-7-14(13)22-10-15(18)19)23(20,21)17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,18,19)/p-1

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Potential Energy
Epot(MMFF94)=36.7615 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.79 g/mol  logS: -4.03172  SlogP: 1.2136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0750495  Sterimol/B1: 3.48717  Sterimol/B2: 3.92017  Sterimol/B3: 4.90496
  Sterimol/B4: 6.45843  Sterimol/L: 17.3923 
 
 Surface and Volume Properties
  Accessible surface: 575.918  Positive charged surface: 247.873  Negative charged surface: 328.044  Volume: 295.875
  Hydrophobic surface: 389.744  Hydrophilic surface: 186.174
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs03963713
VITASM-ZINC04741054