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KEYORGANICS-ZINC01031945

 MMsINC code: MMs02093746
Type: Neutral
Formula: C15H10Cl2N2O2S
SMILES:   Clc1ccc(cc1)-c1n[nH]cc1S(=O)(=O)c1ccc(Cl)cc1
InChI:   InChI=1/C15H10Cl2N2O2S/c16-11-3-1-10(2-4-11)15-14(9-18-19-15)22(20,21)13-7-5-12(17)6-8-13/h1-9H,(H,18,19)

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Potential Energy
Epot(MMFF94)=79.8814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.229 g/mol  logS: -5.64923  SlogP: 4.2163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.282747  Sterimol/B1: 2.47529  Sterimol/B2: 4.3727  Sterimol/B3: 5.58403
  Sterimol/B4: 8.031  Sterimol/L: 12.0876 
 
 Surface and Volume Properties
  Accessible surface: 506.974  Positive charged surface: 186.155  Negative charged surface: 320.819  Volume: 285.625
  Hydrophobic surface: 371.676  Hydrophilic surface: 135.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.