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PUBCHEM-ZINC01227063

 MMsINC code: MMs02790493
Type: Neutral
Formula: C15H14Cl2N2O2S
SMILES:   Clc1cc(Cl)ccc1\C=N\N(S(=O)(=O)c1ccc(cc1)C)C
InChI:   InChI=1/C15H14Cl2N2O2S/c1-11-3-7-14(8-4-11)22(20,21)19(2)18-10-12-5-6-13(16)9-15(12)17/h3-10H,1-2H3/b18-10+

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Potential Energy
Epot(MMFF94)=112.547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.261 g/mol  logS: -5.06651  SlogP: 3.95642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0932963  Sterimol/B1: 2.43888  Sterimol/B2: 2.81812  Sterimol/B3: 5.57353
  Sterimol/B4: 7.42921  Sterimol/L: 16.1112 
 
 Surface and Volume Properties
  Accessible surface: 558.938  Positive charged surface: 265.75  Negative charged surface: 293.187  Volume: 302.875
  Hydrophobic surface: 487.285  Hydrophilic surface: 71.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.