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PUBCHEM-ZINC04754857

 MMsINC code: MMs03166454
Type: Ionized
Formula: C14H7Cl2NO6S-2
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)Nc1cc(ccc1C(=O)[O-])C(=O)[O-]
InChI:   InChI=1/C14H9Cl2NO6S/c15-8-2-4-10(16)12(6-8)24(22,23)17-11-5-7(13(18)19)1-3-9(11)14(20)21/h1-6,17H,(H,18,19)(H,20,21)/p-2

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Potential Energy
Epot(MMFF94)=24.4813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.183 g/mol  logS: -4.975  SlogP: 0.5212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.333071  Sterimol/B1: 3.01823  Sterimol/B2: 4.57519  Sterimol/B3: 5.69224
  Sterimol/B4: 6.1146  Sterimol/L: 10.4503 
 
 Surface and Volume Properties
  Accessible surface: 506.182  Positive charged surface: 137.849  Negative charged surface: 368.333  Volume: 288.625
  Hydrophobic surface: 287.607  Hydrophilic surface: 218.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 4  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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MMs03166453
PUBCHEM-ZINC04754857