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ASINEX-ZINC00166164

 MMsINC code: MMs00083405
Type: Ionized
Formula: C15H13ClNO4S-
SMILES:   Clc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)[O-])cc1
InChI:   InChI=1/C15H14ClNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)/p-1/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=38.8427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.791 g/mol  logS: -4.04281  SlogP: 0.97947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.298139  Sterimol/B1: 2.34716  Sterimol/B2: 3.57513  Sterimol/B3: 4.2838
  Sterimol/B4: 7.52991  Sterimol/L: 13.0241 
 
 Surface and Volume Properties
  Accessible surface: 483.667  Positive charged surface: 210.374  Negative charged surface: 273.293  Volume: 289.75
  Hydrophobic surface: 333.215  Hydrophilic surface: 150.452
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs00083404
ASINEX-ZINC00166164