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NIH-ZINC00528769

 MMsINC code: MMs02521909
Type: Neutral
Formula: C12H10ClFN2O3S
SMILES:   Clc1ccc(nc1)NS(=O)(=O)c1cc(OC)c(F)cc1
InChI:   InChI=1/C12H10ClFN2O3S/c1-19-11-6-9(3-4-10(11)14)20(17,18)16-12-5-2-8(13)7-15-12/h2-7H,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=33.4412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.74 g/mol  logS: -3.17949  SlogP: 2.6835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142751  Sterimol/B1: 2.39785  Sterimol/B2: 3.02859  Sterimol/B3: 5.59965
  Sterimol/B4: 5.87026  Sterimol/L: 14.1094 
 
 Surface and Volume Properties
  Accessible surface: 489.241  Positive charged surface: 242.31  Negative charged surface: 246.931  Volume: 248.75
  Hydrophobic surface: 389.059  Hydrophilic surface: 100.182
 
 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.