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CHEMBLOCK-ZINC04653692

 MMsINC code: MMs00567956
Type: Ionized
Formula: C15H12Cl2NO4S-
SMILES:   Clc1ccc(cc1)C(NS(=O)(=O)c1ccc(Cl)cc1)CC(=O)[O-]
InChI:   InChI=1/C15H13Cl2NO4S/c16-11-3-1-10(2-4-11)14(9-15(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h1-8,14,18H,9H2,(H,19,20)/p-1/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=4.42375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.236 g/mol  logS: -4.59755  SlogP: 2.2485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.337376  Sterimol/B1: 2.84925  Sterimol/B2: 5.00947  Sterimol/B3: 5.07067
  Sterimol/B4: 6.74886  Sterimol/L: 13.3158 
 
 Surface and Volume Properties
  Accessible surface: 512.583  Positive charged surface: 196.805  Negative charged surface: 315.778  Volume: 301.5
  Hydrophobic surface: 346.782  Hydrophilic surface: 165.801
 
 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:


MMs00567955
CHEMBLOCK-ZINC04653692