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PUBCHEM-ZINC05603278

 MMsINC code: MMs03321481
Type: Neutral
Formula: C13H11Cl2NO2S
SMILES:   Clc1cccc(Cl)c1S(=O)(=O)NCc1ccccc1
InChI:   InChI=1/C13H11Cl2NO2S/c14-11-7-4-8-12(15)13(11)19(17,18)16-9-10-5-2-1-3-6-10/h1-8,16H,9H2

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Potential Energy
Epot(MMFF94)=26.3507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.208 g/mol  logS: -4.45934  SlogP: 3.7383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122678  Sterimol/B1: 3.47999  Sterimol/B2: 3.90238  Sterimol/B3: 4.9809
  Sterimol/B4: 5.26079  Sterimol/L: 14.0967 
 
 Surface and Volume Properties
  Accessible surface: 494.334  Positive charged surface: 201.215  Negative charged surface: 293.118  Volume: 260.5
  Hydrophobic surface: 427.629  Hydrophilic surface: 66.705
 
 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: no related molecules available.