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NCID-ZINC01725625

 MMsINC code: MMs02349445
Type: Neutral
Formula: C14H12Cl2O3S
SMILES:   Clc1cc(Cl)cc(CS(=O)(=O)c2ccccc2C)c1O
InChI:   InChI=1/C14H12Cl2O3S/c1-9-4-2-3-5-13(9)20(18,19)8-10-6-11(15)7-12(16)14(10)17/h2-7,17H,8H2,1H3

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Potential Energy
Epot(MMFF94)=71.5829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.219 g/mol  logS: -4.56057  SlogP: 4.24772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.045284  Sterimol/B1: 2.71877  Sterimol/B2: 2.7975  Sterimol/B3: 3.71612
  Sterimol/B4: 6.63122  Sterimol/L: 14.5431 
 
 Surface and Volume Properties
  Accessible surface: 503.273  Positive charged surface: 192.795  Negative charged surface: 310.477  Volume: 270
  Hydrophobic surface: 431.19  Hydrophilic surface: 72.083
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.