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KEYORGANICS-ZINC01393823

 MMsINC code: MMs02101691
Type: Neutral
Formula: C16H11Cl3N2O3S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NCc1onc(c1)-c1ccc(Cl)cc1
InChI:   InChI=1/C16H11Cl3N2O3S/c17-11-3-1-10(2-4-11)15-8-13(24-21-15)9-20-25(22,23)16-7-12(18)5-6-14(16)19/h1-8,20H,9H2

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Potential Energy
Epot(MMFF94)=65.4058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.7 g/mol  logS: -6.38808  SlogP: 5.0467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0580686  Sterimol/B1: 3.82444  Sterimol/B2: 4.03961  Sterimol/B3: 4.24935
  Sterimol/B4: 5.3074  Sterimol/L: 18.5286 
 
 Surface and Volume Properties
  Accessible surface: 601.12  Positive charged surface: 193.192  Negative charged surface: 407.928  Volume: 321.875
  Hydrophobic surface: 489.541  Hydrophilic surface: 111.579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.