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APOLLO-ZINC01081545

 MMsINC code: MMs00049051
Type: Neutral
Formula: C6H4Cl3NO2S
SMILES:   Clc1cc(Cl)cc(Cl)c1S(=O)(=O)N
InChI:   InChI=1/C6H4Cl3NO2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H,(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=4.50056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.528 g/mol  logS: -3.81436  SlogP: 2.2942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102052  Sterimol/B1: 2.9756  Sterimol/B2: 3.03476  Sterimol/B3: 3.54796
  Sterimol/B4: 5.94337  Sterimol/L: 11.2417 
 
 Surface and Volume Properties
  Accessible surface: 369.734  Positive charged surface: 102.353  Negative charged surface: 267.381  Volume: 175.375
  Hydrophobic surface: 259.171  Hydrophilic surface: 110.563
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00049052
APOLLO-ZINC01081545