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CHEMDIV-ZINC00470710

 MMsINC code: MMs00853812
Type: Neutral
Formula: C12H12ClNO3S2
SMILES:   Clc1sc(S(=O)(=O)NCc2ccc(OC)cc2)cc1
InChI:   InChI=1/C12H12ClNO3S2/c1-17-10-4-2-9(3-5-10)8-14-19(15,16)12-7-6-11(13)18-12/h2-7,14H,8H2,1H3

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Potential Energy
Epot(MMFF94)=31.4718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.817 g/mol  logS: -4.0517  SlogP: 3.155  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058619  Sterimol/B1: 3.63374  Sterimol/B2: 4.0355  Sterimol/B3: 4.17118
  Sterimol/B4: 4.60745  Sterimol/L: 16.8694 
 
 Surface and Volume Properties
  Accessible surface: 525.058  Positive charged surface: 247.461  Negative charged surface: 277.597  Volume: 259.125
  Hydrophobic surface: 427.504  Hydrophilic surface: 97.554
 
 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.